instruction stringlengths 48 868 | input stringclasses 1
value | output stringlengths 7 2.47k |
|---|---|---|
Provide the IUPAC name for the molecule represented as C#CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C . | (5S,8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one | |
Convert the following SMILES notation COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5 into its IUPAC nomenclature. | (2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol | |
Translate the given SMILES formula of a molecule CCCCCCCCN(N=O)C(N)=O into its IUPAC name. | 1-nitroso-1-octylurea | |
Determine the IUPAC name for the molecule denoted by CC(C)CC(N)C(=O)NCC(O)CC(N)CC(=O)NN(C)CC(=O)O . | 2-[[[(3R,5R)-3-amino-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxyhexanoyl]amino]-methylamino]acetic acid | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: CN1CCC(CO)(c2ccccc2)CC1 . | (1-methyl-4-phenylpiperidin-4-yl)methanol | |
Can you give the IUPAC name of the molecule c1ccc(N[n+]2cnn(-c3ccccc3)c2)cc1 ? | N,1-diphenyl-1,2,4-triazol-4-ium-4-amine | |
Translate the given SMILES formula of a molecule CCN(CC)CP(=O)(CN(CC)CC)CN(CC)CC into its IUPAC name. | N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethylethanamine | |
What is the IUPAC name for the molecule whose SMILES representation is c1ccc(C2=NCCS2)cc1 ? | 2-phenyl-4,5-dihydro-1,3-thiazole | |
Convert the SMILES representation of a molecule CCCNC(=O)C(CCC)CCC into IUPAC name. | N,2-dipropylpentanamide | |
What is the IUPAC name of the molecule CCCN1CCN(C(=S)S)CC1 ? | 4-propylpiperazine-1-carbodithioic acid | |
OCC(CN1CCOCC1)c1ccccc1 is the SMILES representation of a molecule. What is its IUPAC name? | 3-morpholin-4-yl-2-phenylpropan-1-ol | |
What is the IUPAC name for the molecule whose SMILES representation is CCN(CC)CC1C2CCC(C)(C1OC(=O)C(c1ccccc1)c1ccccc1)C2(C)C ? | [3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate | |
What is the IUPAC name for the molecule whose SMILES representation is CCN(CC)CCOCC12CCC(c3ccccc31)c1ccccc12 ? | N,N-diethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanamine | |
Please write the IUPAC name of the molecule O=C(CCN1CCCCCC1)c1ccccc1 . | 3-(azepan-1-yl)-1-phenylpropan-1-one | |
What is the IUPAC name for the molecule whose SMILES representation is CCC(=O)OC1(c2ccccc2)CC(C)N(C)CC1(C)CN(CC)CC ? | [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate | |
What is the IUPAC name for the molecule whose SMILES representation is Cc1c(N(C)C)c(=O)[nH]c(=O)n1-c1ccccc1 ? | 5-(dimethylamino)-6-methyl-1-phenylpyrimidine-2,4-dione | |
Please write the IUPAC name of the molecule CC1CC(c2ccccc2)=NN(CCN2CCOCC2)C1=O . | 4-methyl-2-(2-morpholin-4-ylethyl)-6-phenyl-4,5-dihydropyridazin-3-one | |
CC(C)(C)NCC(O)COCC1COc2ccccc2O1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 1-(tert-butylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol | |
Provide the IUPAC name for the molecule represented as CCC(NC(=O)C1CCCN1)(C(=O)NCC(N)=O)c1ccccc1 . | (2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-phenylbutan-2-yl]pyrrolidine-2-carboxamide | |
Please write the IUPAC name of the molecule CCN(CC)S(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1Cl . | 2-chloro-4-dimethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide | |
Determine the IUPAC name for the molecule denoted by COc1cc(C(=O)CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC . | 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one | |
Turn the given SMILES symbol of a molecule CCCN(CCN1CCN(C(=O)OCC(C)C)CC1)C1CCCCC1 into its respective IUPAC name. | 2-methylpropyl 4-[2-[cyclohexyl(propyl)amino]ethyl]piperazine-1-carboxylate | |
Can you give the IUPAC name of the molecule CCCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1CC ? | 1-(3-ethyl-4-hexoxyphenyl)-3-piperidin-1-ylpropan-1-one | |
NC(=O)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 is the SMILES representation of a molecule. What is its IUPAC name? | 6-nitro-4-oxochromene-2-carboxamide | |
Turn the given SMILES symbol of a molecule Cc1nc(NC(=O)Nc2ccc(Cl)cc2)oc1C into its respective IUPAC name. | 1-(4-chlorophenyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea | |
Provide the IUPAC name for the molecule represented as COc1ccccc1OC(=O)c1cccs1 . | (2-methoxyphenyl) thiophene-2-carboxylate | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: O=C(OCCN1CCCCC1)C1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 . | 2-piperidin-1-ylethyl 2,2-bis(4-chlorophenyl)cyclopropane-1-carboxylate | |
Translate the given SMILES formula of a molecule CC1CC(C)(C)N=C(Nc2ccccc2)O1 into its IUPAC name. | 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine | |
Convert the SMILES representation of a molecule Ic1ccc(OCCCCCN2CCSC2)nc1 into IUPAC name. | 3-[5-(5-iodopyridin-2-yl)oxypentyl]-1,3-thiazolidine | |
Clc1ccc(OCC2CO2)c(Cl)c1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 2-[(2,4-dichlorophenoxy)methyl]oxirane | |
CC(C)CCCN The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 4-methylpentan-1-amine | |
What is the IUPAC name of the molecule O=S(=O)(CC(Br)c1ccccc1)c1ccccc1 ? | [2-(benzenesulfonyl)-1-bromoethyl]benzene | |
Convert the SMILES representation of a molecule O=NC(C[N+](=O)[O-])c1ccccc1 into IUPAC name. | (2-nitro-1-nitrosoethyl)benzene | |
Can you give the IUPAC name of the molecule COc1ccc(C(C)C=O)cc1 ? | 2-(4-methoxyphenyl)propanal | |
O=S(OCCCl)OCCCl is the SMILES representation of a molecule. What is its IUPAC name? | bis(2-chloroethyl) sulfite | |
Turn the given SMILES symbol of a molecule CC(C)c1ccc(C(=O)C(C(c2ccccc2)N2CCOCC2)N2CCOCC2)c(C(C)C)c1 into its respective IUPAC name. | 1-[2,4-di(propan-2-yl)phenyl]-2,3-dimorpholin-4-yl-3-phenylpropan-1-one | |
What is the IUPAC name for the molecule whose SMILES representation is COc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ? | (4-bromophenyl) 4-methoxybenzoate | |
Please write the IUPAC name of the molecule O=C(Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 . | naphthalen-2-yl 4-nitrobenzoate | |
What is the IUPAC name of the molecule CCCCNC(=O)C(C)C ? | N-butyl-2-methylpropanamide | |
Determine the IUPAC name for the molecule denoted by Cc1cc(OC(=O)CCl)ccc1C(C)(C)C . | (4-tert-butyl-3-methylphenyl) 2-chloroacetate | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: CCOP(=S)(OCC)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 . | [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane | |
Convert the following SMILES notation CCOc1ccc(NC(=O)c2cnc(C)[nH]2)cc1 into its IUPAC nomenclature. | N-(4-ethoxyphenyl)-2-methyl-1H-imidazole-5-carboxamide | |
Convert the following SMILES notation CCOC(=O)CC(Cc1ccc2c(c1)OCO2)C(=O)OCC into its IUPAC nomenclature. | diethyl 2-(1,3-benzodioxol-5-ylmethyl)butanedioate | |
Nc1c(F)c(F)cc(F)c1[N+](=O)[O-] is the SMILES representation of a molecule. What is its IUPAC name? | 2,3,5-trifluoro-6-nitroaniline | |
COc1ccc([N+](=O)[O-])cc1F The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 2-fluoro-1-methoxy-4-nitrobenzene | |
Please write the IUPAC name of the molecule CC1(C)CN=C(NS(=O)(=O)c2ccc(N)cc2)S1 . | 4-amino-N-(5,5-dimethyl-4H-1,3-thiazol-2-yl)benzenesulfonamide | |
Convert the following SMILES notation CCCCCCCCCCOC(N)=O into its IUPAC nomenclature. | decyl carbamate | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: CNC(=O)Oc1cc(C)c(OC(=O)NC)c(C)c1 . | [3,5-dimethyl-4-(methylcarbamoyloxy)phenyl] N-methylcarbamate | |
What is the IUPAC name for the molecule whose SMILES representation is CC(CNC(N)=O)NC(N)=O ? | 1-(carbamoylamino)propan-2-ylurea | |
Convert the following SMILES notation NC(=O)c1ccc([As](SCC(N)C(=O)O)SCC(N)C(=O)O)cc1 into its IUPAC nomenclature. | 2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: CCN(CC)CCCC(C)NCCC#N . | 3-[5-(diethylamino)pentan-2-ylamino]propanenitrile | |
NC(=O)SCC(=O)Nc1ccc2ccccc2c1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | S-[2-(naphthalen-2-ylamino)-2-oxoethyl] carbamothioate | |
What is the IUPAC name for the molecule whose SMILES representation is CC(=O)Nc1ccc(S(=O)(=O)Oc2nccnc2N)cc1 ? | (3-aminopyrazin-2-yl) 4-acetamidobenzenesulfonate | |
Turn the given SMILES symbol of a molecule OC(N1CSC(=S)N(C(O)C(Cl)(Cl)Cl)C1)C(Cl)(Cl)Cl into its respective IUPAC name. | 3,5-bis(2,2,2-trichloro-1-hydroxyethyl)-1,3,5-thiadiazinane-2-thione | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: C=CC(O)CN(CC)CC . | 1-(diethylamino)but-3-en-2-ol | |
Provide the IUPAC name for the molecule represented as CC([N+](=O)[O-])=[N+]([O-])C(C)([N+](=O)[O-])[N+](=O)[O-] . | N-(1,1-dinitroethyl)-1-nitroethanimine oxide | |
Provide the IUPAC name for the molecule represented as CCCCCCCCCCCC1=NC(C)(C)CN1CCO . | 2-(5,5-dimethyl-2-undecyl-4H-imidazol-3-yl)ethanol | |
CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)CCC(C)(C)O2 is the SMILES representation of a molecule. What is its IUPAC name? | 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one | |
Convert the following SMILES notation CCOP(=O)(OCC)Oc1ccc2c(c1)OCO2 into its IUPAC nomenclature. | 1,3-benzodioxol-5-yl diethyl phosphate | |
Convert the SMILES representation of a molecule O=C(O)C=CC(=O)N1CCOCC1 into IUPAC name. | 4-morpholin-4-yl-4-oxobut-2-enoic acid | |
What is the IUPAC name for the molecule whose SMILES representation is Cc1cc(C)c2c(CC(=O)O)c[nH]c2c1 ? | 2-(4,6-dimethyl-1H-indol-3-yl)acetic acid | |
Convert the following SMILES notation CCOc1ccc2[nH]c(C)c(CC(=O)O)c2c1 into its IUPAC nomenclature. | 2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic acid | |
Translate the given SMILES formula of a molecule CCCCCCC(C)S(=O)(=O)OCCCCOS(=O)(=O)C(C)CCCCCC into its IUPAC name. | 4-octan-2-ylsulfonyloxybutyl octane-2-sulfonate | |
CN(C)CCCNc1nc(Cl)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | N-(2-chloro-6,7-diphenylpteridin-4-yl)-N',N'-dimethylpropane-1,3-diamine | |
Translate the given SMILES formula of a molecule OC1CCCCC1n1cnc2c(Cl)ncnc21 into its IUPAC name. | (1R,2S)-2-(6-chloropurin-9-yl)cyclohexan-1-ol | |
CC(CC(=O)O)c1ccc(O)cc1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 3-(4-hydroxyphenyl)butanoic acid | |
Can you give the IUPAC name of the molecule N#CCC(=O)NN=CC(O)C(O)C(O)C(O)C(=O)O ? | 6-[(2-cyanoacetyl)hydrazinylidene]-2,3,4,5-tetrahydroxyhexanoic acid | |
Provide the IUPAC name for the molecule represented as CCOP(=O)(Cc1ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc1)OCC . | 2-[4-(diethoxyphosphorylmethyl)-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate | |
Can you give the IUPAC name of the molecule COC(=O)CCC(=O)c1ccc2cc(OC)ccc2c1 ? | methyl 4-(6-methoxynaphthalen-2-yl)-4-oxobutanoate | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: CC(OC(=O)c1ccccc1C(=O)OC(C)c1ccccc1)c1ccccc1 . | bis(1-phenylethyl) benzene-1,2-dicarboxylate | |
Cc1cc(NC(=O)c2ccccc2)ccc1S(N)(=O)=O The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | N-(3-methyl-4-sulfamoylphenyl)benzamide | |
CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | (3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol | |
Please write the IUPAC name of the molecule COc1ccc(OC)c(N=Nc2cc(OC)ccc2OC)c1 . | bis(2,5-dimethoxyphenyl)diazene | |
Determine the IUPAC name for the molecule denoted by CCCCSCN1CCN(c2ccccc2OC)CC1 . | 1-(butylsulfanylmethyl)-4-(2-methoxyphenyl)piperazine | |
Please write the IUPAC name of the molecule CCCCSCN1CCN(c2ccccc2)CC1 . | 1-(butylsulfanylmethyl)-4-phenylpiperazine | |
Convert the following SMILES notation CC1C(c2ccc3c(c2)OCO3)OC(c2ccc3c(c2)OCO3)C1C into its IUPAC nomenclature. | 5-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole | |
Clc1ccc(SCc2cccc3ccccc23)cc1 is the SMILES representation of a molecule. What is its IUPAC name? | 1-[(4-chlorophenyl)sulfanylmethyl]naphthalene | |
Please write the IUPAC name of the molecule CCOC(=O)NCCCCCCl . | ethyl N-(5-chloropentyl)carbamate | |
Convert the following SMILES notation CC(=O)C1C(S)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C into its IUPAC nomenclature. | 1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone | |
Determine the IUPAC name for the molecule denoted by Nc1cccc2c1C(=O)c1ccc(I)cc1C2=O . | 1-amino-6-iodoanthracene-9,10-dione | |
Cn1cnc2c(N(CCO)CCO)ncnc21 is the SMILES representation of a molecule. What is its IUPAC name? | 2-[2-hydroxyethyl-(9-methylpurin-6-yl)amino]ethanol | |
Can you give the IUPAC name of the molecule COc1ccc(C=CC2(C)OCC(C)O2)cc1 ? | 2-[2-(4-methoxyphenyl)ethenyl]-2,4-dimethyl-1,3-dioxolane | |
Determine the IUPAC name for the molecule represented by the following SMILES representation: CCCCCCC1OCC(C)(C)C(C)O1 . | 2-hexyl-4,5,5-trimethyl-1,3-dioxane | |
Translate the given SMILES formula of a molecule COC(=O)c1cc(Cl)nc(SC)n1 into its IUPAC name. | methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate | |
Please write the IUPAC name of the molecule NC(=NN=Cc1ccccc1[N+](=O)[O-])C(N)=NN=Cc1ccccc1[N+](=O)[O-] . | 1-N',2-N'-bis[(2-nitrophenyl)methylideneamino]ethanediimidamide | |
What is the IUPAC name of the molecule COc1ccc(OC(=O)CCBr)cc1 ? | (4-methoxyphenyl) 3-bromopropanoate | |
Determine the IUPAC name for the molecule denoted by Cn1cc(Cc2ccccc2C(=O)O)c2ccccc21 . | 2-[(1-methylindol-3-yl)methyl]benzoic acid | |
Convert the SMILES representation of a molecule CCCn1cnc2c(SCCc3ccccc3)nc(N)nc21 into IUPAC name. | 6-(2-phenylethylsulfanyl)-9-propylpurin-2-amine | |
Translate the given SMILES formula of a molecule c1ccc(-c2nc3sc(-c4ccccc4)nc3s2)cc1 into its IUPAC name. | 2,5-diphenyl-[1,3]thiazolo[5,4-d][1,3]thiazole | |
Oc1c(CNCc2ccccc2)c(O)c(CNCc2ccccc2)c(O)c1CNCc1ccccc1 is the SMILES representation of a molecule. What is its IUPAC name? | 2,4,6-tris[(benzylamino)methyl]benzene-1,3,5-triol | |
Can you give the IUPAC name of the molecule c1cc2n(n1)CCN2 ? | 2,3-dihydro-1H-imidazo[1,2-b]pyrazole | |
Can you give the IUPAC name of the molecule NC1C(=O)C2CCCCC2C(=O)C1C(=O)c1ccccc1 ? | 2-amino-3-benzoyl-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione | |
N#CC1C(C#N)C2CC1C1N=NN(c3ccccc3)C21 is the SMILES representation of a molecule. What is its IUPAC name? | 5-phenyl-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene-8,9-dicarbonitrile | |
Determine the IUPAC name for the molecule denoted by O=NN(c1ccccc1)c1ccccn1 . | N-phenyl-N-pyridin-2-ylnitrous amide | |
What is the IUPAC name for the molecule whose SMILES representation is O=NN(CCN(CC(=O)O)N=O)CC(=O)O ? | 2-[2-[carboxymethyl(nitroso)amino]ethyl-nitrosoamino]acetic acid | |
CC(c1ccccc1)C(CBr)CBr The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | [4-bromo-3-(bromomethyl)butan-2-yl]benzene | |
Determine the IUPAC name for the molecule denoted by CC(Cl)(C(=O)c1ccccc1)C(Cl)c1ccccc1 . | 2,3-dichloro-2-methyl-1,3-diphenylpropan-1-one | |
Convert the following SMILES notation CCOC(=O)C1C(=O)C(=O)N(C2CCCCC2)C1C(=O)OCC into its IUPAC nomenclature. | diethyl 1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxylate | |
What is the IUPAC name for the molecule whose SMILES representation is Clc1ccc([Sb](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ? | tris(4-chlorophenyl)stibane | |
Can you give the IUPAC name of the molecule N#CSCC(=O)c1ccc(Br)cc1 ? | [2-(4-bromophenyl)-2-oxoethyl] thiocyanate |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.