id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
297,656 | {
"selfies": "[C][O][C][C][=C][C][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=N][O][Ring1][S]",
"smiles": "COCc1cc(Cc2nc(C3CCCC3)no2)no1"
} | 3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "3-cyclopentyl-5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,2,4-oxadiazole",
"role": "assistant"
}
] |
297,657 | {
"selfies": "[O][=C][Branch1][#Branch2][C][=C][C][=C][S][C][=N][Ring1][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1]",
"smiles": "O=C(C=Cc1cscn1)NCCN1CCCCCC1"
} | (E)-N-[2-(azepan-1-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(E)-N-[2-(azepan-1-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide",
"role": "assistant"
}
] |
297,658 | {
"selfies": "[C][C][Branch1][S][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][N][C][C][O][C][Ring2][Ring1][C]",
"smiles": "CC1(CNc2nc3ccccc3o2)CNCCOC1"
} | N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine",
"role": "assistant"
}
] |
297,659 | {
"selfies": "[C][C][=N][N][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][=N][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2]",
"smiles": "Cc1nnc2ccc(NCC(Cc3cccc(F)c3)C(=O)O)nn12"
} | 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanoic acid",
"role": "assistant"
}
] |
297,660 | {
"selfies": "[C][C][S][C][Branch1][C][Br][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1sc(Br)nc1C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1"
} | 2-bromo-5-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,3-thiazole-4-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-bromo-5-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,3-thiazole-4-carboxamide",
"role": "assistant"
}
] |
297,661 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=N][Ring1][=Branch2]",
"smiles": "O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccc2[nH]ncc2n1"
} | N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridine-5-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridine-5-carboxamide",
"role": "assistant"
}
] |
297,662 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1]",
"smiles": "O=C(NC(Cc1cccc(F)c1)C(=O)O)c1cncc2c1CCCC2"
} | (2S)-3-(3-fluorophenyl)-2-(5,6,7,8-tetrahydroisoquinoline-4-carbonylamino)propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "(2S)-3-(3-fluorophenyl)-2-(5,6,7,8-tetrahydroisoquinoline-4-carbonylamino)propanoic acid",
"role": "assistant"
}
] |
297,663 | {
"selfies": "[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O]",
"smiles": "CC1CN(C(=O)Cn2ncn(C)c2=O)c2ccccc2N(C)C1=O"
} | 1,3-dimethyl-5-[2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1,5-benzodiazepin-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "1,3-dimethyl-5-[2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1,5-benzodiazepin-2-one",
"role": "assistant"
}
] |
297,664 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"smiles": "CCOC(=O)C(CC)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"
} | ethyl 2-(2,4-dinitrophenyl)sulfanylbutanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "ethyl 2-(2,4-dinitrophenyl)sulfanylbutanoate",
"role": "assistant"
}
] |
297,665 | {
"selfies": "[C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1]",
"smiles": "Cn1c(=O)[nH]c2ccc(-c3cncc(N4CCC(N)CC4)n3)cc21"
} | 5-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-3-methyl-1H-benzimidazol-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "5-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-3-methyl-1H-benzimidazol-2-one",
"role": "assistant"
}
] |
297,666 | {
"selfies": "[Cl][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2]",
"smiles": "Clc1ccc2c(n1)CCCC2NCCc1cnc(C2CC2)nc1"
} | 2-chloro-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-5-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "2-chloro-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-5-amine",
"role": "assistant"
}
] |
297,667 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][Ring1][Branch2][C][C][Ring2][Ring1][Branch2]",
"smiles": "CC(=O)N1CCN(Cc2ccccc2NC(=O)c2nc(C(C)C)cs2)CC1"
} | N-[2-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "N-[2-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide",
"role": "assistant"
}
] |
297,668 | {
"selfies": "[O][=C][C][C][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][C][O][C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=Ring1][P][Ring2][Ring1][Branch1]",
"smiles": "O=C1CCCc2nc(-c3ccc(C4=CCCOC4)cc3)sc21"
} | 2-[4-(3,6-dihydro-2H-pyran-5-yl)phenyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "2-[4-(3,6-dihydro-2H-pyran-5-yl)phenyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one",
"role": "assistant"
}
] |
297,669 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][=N][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "O=C(CN1C(=O)C(F)(F)Oc2ccccc21)Nc1ncccn1"
} | 2-(2,2-difluoro-3-oxo-1,4-benzoxazin-4-yl)-N-pyrimidin-2-ylacetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "2-(2,2-difluoro-3-oxo-1,4-benzoxazin-4-yl)-N-pyrimidin-2-ylacetamide",
"role": "assistant"
}
] |
297,670 | {
"selfies": "[C][S][Branch1][C][C][=Branch1][C][=O][=N][C][=C][C][=C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch1]",
"smiles": "CS(C)(=O)=Nc1ccc(NS(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)cc1"
} | 6-chloro-N-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]phenyl]-4-(trifluoromethyl)pyridine-3-sulfonamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "6-chloro-N-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]phenyl]-4-(trifluoromethyl)pyridine-3-sulfonamide",
"role": "assistant"
}
] |
297,672 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][NH1][N][=Ring1][O][C][Ring2][Ring1][Ring2]",
"smiles": "CC(=O)N1CCCC(C(=O)Nc2cc(-c3nccn3C)[nH]n2)C1"
} | 1-acetyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-acetyl-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide",
"role": "assistant"
}
] |
297,673 | {
"selfies": "[C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1]",
"smiles": "CC1(C(=O)N2Cc3[nH]c(=O)[nH]c(=O)c3C2)Cc2ccccc2N1"
} | 6-(2-methyl-1,3-dihydroindole-2-carbonyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "6-(2-methyl-1,3-dihydroindole-2-carbonyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione",
"role": "assistant"
}
] |
297,674 | {
"selfies": "[C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=C][Branch1][C][C][S][Ring2][Ring1][Ring2]",
"smiles": "Cc1cc(S(=O)(=O)NC(=O)c2c(Cl)c(C)nn2C)c(C)s1"
} | 4-chloro-N-(2,5-dimethylthiophen-3-yl)sulfonyl-2,5-dimethylpyrazole-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "4-chloro-N-(2,5-dimethylthiophen-3-yl)sulfonyl-2,5-dimethylpyrazole-3-carboxamide",
"role": "assistant"
}
] |
297,675 | {
"selfies": "[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][S][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][Ring1][=C]",
"smiles": "Cc1nn(-c2ccccc2)nc1C(=O)N1CC(O)(C(C)NC(=O)CC2CC2)C1"
} | 2-cyclopropyl-N-[1-[3-hydroxy-1-(5-methyl-2-phenyltriazole-4-carbonyl)azetidin-3-yl]ethyl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-cyclopropyl-N-[1-[3-hydroxy-1-(5-methyl-2-phenyltriazole-4-carbonyl)azetidin-3-yl]ethyl]acetamide",
"role": "assistant"
}
] |
297,676 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][=N][C][S][C][=C][Branch1][O][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][C][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][N]",
"smiles": "COc1ccc(CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cn1"
} | 2-[[4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[[4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one",
"role": "assistant"
}
] |
297,677 | {
"selfies": "[C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][Branch2][C]",
"smiles": "Cc1nc(C(C)(C)C)nc(NC2CC(NC(=O)C3CCC(=O)N3)C2)c1C"
} | (2R)-N-[3-[(2-tert-butyl-5,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]-5-oxopyrrolidine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(2R)-N-[3-[(2-tert-butyl-5,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]-5-oxopyrrolidine-2-carboxamide",
"role": "assistant"
}
] |
297,678 | {
"selfies": "[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C]",
"smiles": "Cc1nn(C)cc1CNc1cccc2c1cnn2C"
} | N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylindazol-4-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylindazol-4-amine",
"role": "assistant"
}
] |
297,679 | {
"selfies": "[C][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][NH1][Ring2][Ring1][Ring1]",
"smiles": "CN1CCCC1c1cc(C(=O)N(CC2CC2)c2cccc(F)c2)n[nH]1"
} | N-(cyclopropylmethyl)-N-(3-fluorophenyl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "N-(cyclopropylmethyl)-N-(3-fluorophenyl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide",
"role": "assistant"
}
] |
297,680 | {
"selfies": "[C][C][=N][O][C][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O]",
"smiles": "Cc1nocc1CC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1"
} | N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide",
"role": "assistant"
}
] |
297,681 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][N]",
"smiles": "COC(=O)C(c1cccc(C)c1)C1CCN(c2nnnn2C)CC1"
} | methyl 2-(3-methylphenyl)-2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]acetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "methyl 2-(3-methylphenyl)-2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]acetate",
"role": "assistant"
}
] |
297,683 | {
"selfies": "[C][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][N][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2]",
"smiles": "Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(NC(=O)OC(C)(C)C)(c2cccc(F)c2)C1"
} | tert-butyl N-[1-[2-[[1-(5-cyanopyridin-2-yl)-4-methylpyrazol-3-yl]amino]-2-oxoacetyl]-3-(3-fluorophenyl)pyrrolidin-3-yl]carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "tert-butyl N-[1-[2-[[1-(5-cyanopyridin-2-yl)-4-methylpyrazol-3-yl]amino]-2-oxoacetyl]-3-(3-fluorophenyl)pyrrolidin-3-yl]carbamate",
"role": "assistant"
}
] |
297,684 | {
"selfies": "[C][C][=N][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N]",
"smiles": "Cc1nnccc1C(=O)N1CC(CO)(c2ccccc2)C1"
} | [3-(hydroxymethyl)-3-phenylazetidin-1-yl]-(3-methylpyridazin-4-yl)methanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "[3-(hydroxymethyl)-3-phenylazetidin-1-yl]-(3-methylpyridazin-4-yl)methanone",
"role": "assistant"
}
] |
297,685 | {
"selfies": "[C][O][C][C][Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][O][C][=C][Ring1][=N][C][=Branch1][C][=O][O]",
"smiles": "COCC(C)(NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)C(=O)O"
} | 3-methoxy-2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "3-methoxy-2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid",
"role": "assistant"
}
] |
297,686 | {
"selfies": "[C][=C][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][N][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring2][O][C][C][C][O][Ring1][Branch2]",
"smiles": "c1cc(NCc2ccc(OC3CCOC3)cc2)c2c(c1)OCCCO2"
} | N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-amine",
"role": "assistant"
}
] |
297,687 | {
"selfies": "[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][S][Ring1][=C]",
"smiles": "Cc1nc2ccccc2n1CCC(=O)Nc1nnc(C2(c3ccccc3)CC2)s1"
} | 3-(2-methylbenzimidazol-1-yl)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "3-(2-methylbenzimidazol-1-yl)-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide",
"role": "assistant"
}
] |
297,688 | {
"selfies": "[O][=C][Branch1][C][O][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][O][C][=N][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring1][O][C][Ring1][=C]",
"smiles": "O=C(O)CC1CC2(CCN(c3nnc(Cl)s3)C2)C1"
} | 2-[6-(5-chloro-1,3,4-thiadiazol-2-yl)-6-azaspiro[3.4]octan-2-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "2-[6-(5-chloro-1,3,4-thiadiazol-2-yl)-6-azaspiro[3.4]octan-2-yl]acetic acid",
"role": "assistant"
}
] |
297,689 | {
"selfies": "[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][S][C][Branch1][Ring1][C][N][=N][C][=Ring1][#Branch1][C][Ring1][O]",
"smiles": "COc1ccc2c(c1)CCCN2C(=O)CN1CCc2sc(CN)nc2C1"
} | 2-[2-(aminomethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-[2-(aminomethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone",
"role": "assistant"
}
] |
297,690 | {
"selfies": "[C][C][C][=C][O][C][=Ring1][Branch1][C][=N][C][Branch1][Branch2][C][=N][C][=N][NH1][Ring1][Branch1][=N][N][Ring1][#Branch2][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F]",
"smiles": "Cc1ccoc1-c1nc(-c2ncn[nH]2)nn1CC1CCCC1(F)F"
} | 1-[(2,2-difluorocyclopentyl)methyl]-5-(3-methylfuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "1-[(2,2-difluorocyclopentyl)methyl]-5-(3-methylfuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole",
"role": "assistant"
}
] |
297,691 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][N][C][Ring1][=Branch1]",
"smiles": "NC(=O)c1ccccc1NC(=O)c1cnc2n1CCNC2"
} | N-(2-carbamoylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-(2-carbamoylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide",
"role": "assistant"
}
] |
297,692 | {
"selfies": "[C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]",
"smiles": "CCN(C)C(=O)c1ccc(CN(C)Cc2cccc(OC(F)F)c2)cc1"
} | 4-[[[3-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-N-ethyl-N-methylbenzamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "4-[[[3-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-N-ethyl-N-methylbenzamide",
"role": "assistant"
}
] |
297,693 | {
"selfies": "[C][O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O]",
"smiles": "COC1CCCCC1NC(=O)Nc1ccc(-n2cncn2)cc1"
} | 1-[(1S,2S)-2-methoxycyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]urea | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "1-[(1S,2S)-2-methoxycyclohexyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]urea",
"role": "assistant"
}
] |
297,694 | {
"selfies": "[O][=C][Branch2][Ring1][=Branch2][O][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]",
"smiles": "O=C(OC(c1cc(Br)ccc1F)C(F)(F)F)c1ccnc2[nH]ccc12"
} | [1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl] 1H-pyrrolo[2,3-b]pyridine-4-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl] 1H-pyrrolo[2,3-b]pyridine-4-carboxylate",
"role": "assistant"
}
] |
297,695 | {
"selfies": "[C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][P][C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][#Branch1]",
"smiles": "CC(C)n1cc(C2(O)CCN(CC(=O)Nc3ccc(F)cc3Cl)C2)nn1"
} | N-(2-chloro-4-fluorophenyl)-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "N-(2-chloro-4-fluorophenyl)-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide",
"role": "assistant"
}
] |
297,696 | {
"selfies": "[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Ring1][Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][F][C][=C][Ring2][Ring1][Branch1]",
"smiles": "C=CC(=O)Nc1ccc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cc1"
} | N-[4-(4-fluoro-5-nitro-2,3-dihydroindole-1-carbonyl)phenyl]prop-2-enamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "N-[4-(4-fluoro-5-nitro-2,3-dihydroindole-1-carbonyl)phenyl]prop-2-enamide",
"role": "assistant"
}
] |
297,698 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CS(=O)(=O)Cc1ccccc1OCC(O)COc1ccccc1"
} | 1-[2-(methylsulfonylmethyl)phenoxy]-3-phenoxypropan-2-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "1-[2-(methylsulfonylmethyl)phenoxy]-3-phenoxypropan-2-ol",
"role": "assistant"
}
] |
297,699 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][C][C][C][N][N][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Br][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2]",
"smiles": "CC(=O)NCC1CCn2ncc(C(=O)N(Cc3cc(Cl)ccc3Br)CC(C)C)c2C1"
} | 5-(acetamidomethyl)-N-[(2-bromo-5-chlorophenyl)methyl]-N-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "5-(acetamidomethyl)-N-[(2-bromo-5-chlorophenyl)methyl]-N-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide",
"role": "assistant"
}
] |
297,700 | {
"selfies": "[C][O][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"smiles": "COCC(NC(=O)CC1COc2cc(OC)ccc21)c1ccc2[nH]ccc2c1"
} | N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[1-(1H-indol-5-yl)-2-methoxyethyl]-2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetamide",
"role": "assistant"
}
] |
297,701 | {
"selfies": "[C][=C][C][N][C][=Branch2][Ring1][Ring1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][S][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O]",
"smiles": "C=CCn1c(=C(C#N)C(=O)NCC2CCCO2)sc(=Cc2ccccn2)c1=O"
} | (2E)-2-cyano-N-(oxolan-2-ylmethyl)-2-[(5Z)-4-oxo-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "(2E)-2-cyano-N-(oxolan-2-ylmethyl)-2-[(5Z)-4-oxo-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide",
"role": "assistant"
}
] |
297,702 | {
"selfies": "[C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]",
"smiles": "CC1CN(C(=O)CN2CCCCCC2=O)c2cnccc21"
} | 1-[2-(3-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-2-oxoethyl]azepan-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "1-[2-(3-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-2-oxoethyl]azepan-2-one",
"role": "assistant"
}
] |
297,703 | {
"selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1]",
"smiles": "Cc1cccc(S(=O)(=O)N2CCNCC2c2ccccc2)c1"
} | 1-(3-methylphenyl)sulfonyl-2-phenylpiperazine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "1-(3-methylphenyl)sulfonyl-2-phenylpiperazine",
"role": "assistant"
}
] |
297,704 | {
"selfies": "[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]",
"smiles": "O=C(Nc1ccnn1-c1ccc(Br)cn1)NC1CCC(C(=O)O)C1"
} | (1R,3S)-3-[[2-(5-bromopyridin-2-yl)pyrazol-3-yl]carbamoylamino]cyclopentane-1-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "(1R,3S)-3-[[2-(5-bromopyridin-2-yl)pyrazol-3-yl]carbamoylamino]cyclopentane-1-carboxylic acid",
"role": "assistant"
}
] |
297,705 | {
"selfies": "[C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring2][Ring1][Branch2][Cl][C][=C][C][=C][Ring2][Ring2][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1]",
"smiles": "Cc1c(NC(=O)c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)ccc2Cl)cccc1-c1nnc2n1CCCCC2"
} | 5-[benzyl-(2-chlorophenyl)sulfamoyl]-2-chloro-N-[2-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "5-[benzyl-(2-chlorophenyl)sulfamoyl]-2-chloro-N-[2-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide",
"role": "assistant"
}
] |
297,706 | {
"selfies": "[C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][C]",
"smiles": "Cc1ncc(CNC(C(C)C)C2(CO)CCC2)cn1"
} | [1-[2-methyl-1-[(2-methylpyrimidin-5-yl)methylamino]propyl]cyclobutyl]methanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "[1-[2-methyl-1-[(2-methylpyrimidin-5-yl)methylamino]propyl]cyclobutyl]methanol",
"role": "assistant"
}
] |
297,707 | {
"selfies": "[N][C][=C][C][=C][C][Branch1][P][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][C][=C][Branch1][C][F][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]",
"smiles": "Nc1ccc2c(NCC3CCc4ccccc4C3)ncc(F)c2c1"
} | 4-fluoro-1-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)isoquinoline-1,6-diamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "4-fluoro-1-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)isoquinoline-1,6-diamine",
"role": "assistant"
}
] |
297,708 | {
"selfies": "[O][=C][Branch1][C][O][C][=C][C][Branch1][=C][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][=C][C][=C][Ring1][#C][O][C][Branch1][C][F][F]",
"smiles": "O=C(O)c1cc(-c2cnc3ccnn3c2)ccc1OC(F)F"
} | 2-(difluoromethoxy)-5-pyrazolo[1,5-a]pyrimidin-6-ylbenzoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-(difluoromethoxy)-5-pyrazolo[1,5-a]pyrimidin-6-ylbenzoic acid",
"role": "assistant"
}
] |
297,709 | {
"selfies": "[C][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][=C][C][Branch1][C][C][=N][Ring1][=N]",
"smiles": "CCC(CN1CCOCC1)NC(=O)c1cc(-c2noc(=O)[nH]2)cc(C)n1"
} | 6-methyl-N-(1-morpholin-4-ylbutan-2-yl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "6-methyl-N-(1-morpholin-4-ylbutan-2-yl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide",
"role": "assistant"
}
] |
297,710 | {
"selfies": "[C][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(C)c1cnn(C)c1C(=O)N1CC2CC1CN2C(=O)C(O)COCc1ccccc1"
} | (2S)-2-hydroxy-1-[(1S,4S)-5-(2-methyl-4-propan-2-ylpyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-phenylmethoxypropan-1-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(2S)-2-hydroxy-1-[(1S,4S)-5-(2-methyl-4-propan-2-ylpyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-phenylmethoxypropan-1-one",
"role": "assistant"
}
] |
297,711 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=N]",
"smiles": "CC(=O)Nc1cccc(NC(=O)C(Cc2ccc(OC(F)F)cc2)NC(=O)OC(C)(C)C)c1"
} | tert-butyl N-[1-(3-acetamidoanilino)-3-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl]carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "tert-butyl N-[1-(3-acetamidoanilino)-3-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl]carbamate",
"role": "assistant"
}
] |
297,712 | {
"selfies": "[C][N][Branch1][C][C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][N][Branch1][=C][C][C][=C][Branch1][Ring1][C][N][C][=N][N][Ring1][#Branch1][C][C][Ring1][S]",
"smiles": "CN(C)c1ncc2c(n1)CCN(Cc1c(CN)cnn1C)C2"
} | 6-[[4-(aminomethyl)-2-methylpyrazol-3-yl]methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "6-[[4-(aminomethyl)-2-methylpyrazol-3-yl]methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine",
"role": "assistant"
}
] |
297,713 | {
"selfies": "[O][=C][Branch2][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N][N][C][C][N][Branch1][=C][C][C][=C][C][=N][N][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][C][Ring1][#C]",
"smiles": "O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N1CCN(c2ccc3nncn3n2)CC1"
} | N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide",
"role": "assistant"
}
] |
297,714 | {
"selfies": "[O][=C][C][N][Branch2][Ring2][=Branch2][C][C][=C][N][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][N][=N][Ring2][Ring1][#Branch1][C][C][N][Ring2][Ring1][=C]",
"smiles": "O=C1CN(Cc2cn(-c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nn2)CCN1"
} | 3-[3-oxo-7-[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "3-[3-oxo-7-[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione",
"role": "assistant"
}
] |
297,715 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O]",
"smiles": "CC(=O)NC1CC2C1CCN2C(=O)c1cc2c(o1)CCC(C)(C)C2=O"
} | N-[(1S,5R,6R)-2-(5,5-dimethyl-4-oxo-6,7-dihydro-1-benzofuran-2-carbonyl)-2-azabicyclo[3.2.0]heptan-6-yl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "N-[(1S,5R,6R)-2-(5,5-dimethyl-4-oxo-6,7-dihydro-1-benzofuran-2-carbonyl)-2-azabicyclo[3.2.0]heptan-6-yl]acetamide",
"role": "assistant"
}
] |
297,716 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][N][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][S][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=C]",
"smiles": "Cc1cc(C)c2c(c1)CCN(S(=O)(=O)c1ccc3nc(N4CCCC(CS(C)(=O)=O)C4)sc3c1)C2"
} | 6-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-[3-(methylsulfonylmethyl)piperidin-1-yl]-1,3-benzothiazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "6-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-[3-(methylsulfonylmethyl)piperidin-1-yl]-1,3-benzothiazole",
"role": "assistant"
}
] |
297,717 | {
"selfies": "[C][N][C][=C][N][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "CNc1cnc(C#Cc2ccccc2)cc1C(=O)OC(C)(C)C"
} | tert-butyl 5-(methylamino)-2-(2-phenylethynyl)pyridine-4-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "tert-butyl 5-(methylamino)-2-(2-phenylethynyl)pyridine-4-carboxylate",
"role": "assistant"
}
] |
297,718 | {
"selfies": "[C][C][Branch1][O][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]",
"smiles": "CC(OC(=O)C1CC1)C(=O)c1ccc(F)c(F)c1"
} | [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] cyclopropanecarboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] cyclopropanecarboxylate",
"role": "assistant"
}
] |
297,719 | {
"selfies": "[C][N][Branch1][C][C][C][C][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][=C][C][=C][C][Ring1][N][=C][Ring1][=Branch1][Ring1][#Branch2]",
"smiles": "CN(C)CC(CCO)NC(=O)N1CCN2CCOc3cccc1c32"
} | N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide",
"role": "assistant"
}
] |
297,720 | {
"selfies": "[N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][Ring1][#Branch2][C][Ring2][Ring1][=Branch1]",
"smiles": "NC1(c2ccccc2)CCN(Cc2cnc(-c3cccs3)[nH]2)C1"
} | 3-phenyl-1-[(2-thiophen-2-yl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "3-phenyl-1-[(2-thiophen-2-yl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine",
"role": "assistant"
}
] |
297,721 | {
"selfies": "[C][N][Branch1][=N][C][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2]",
"smiles": "CN(Cc1ncc(Br)cn1)Cc1nc(C(C)(C)C)n[nH]1"
} | N-[(5-bromopyrimidin-2-yl)methyl]-1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "N-[(5-bromopyrimidin-2-yl)methyl]-1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine",
"role": "assistant"
}
] |
297,722 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][=N][Ring2][Ring1][Branch2]",
"smiles": "CC(C)(C)c1csc(NC(=O)CCC2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1"
} | N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide",
"role": "assistant"
}
] |
297,723 | {
"selfies": "[C][C][Branch2][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][NH1][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]",
"smiles": "CC(OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)Nc1ncc(Cl)cc1Cl"
} | [1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "[1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate",
"role": "assistant"
}
] |
297,724 | {
"selfies": "[C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][O][Ring1][#C][C][Ring2][Ring1][Branch1]",
"smiles": "COc1ccc2c(n1)NC(c1nc(Cn3cnc4ccccc43)no1)C2"
} | 3-(benzimidazol-1-ylmethyl)-5-(6-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl)-1,2,4-oxadiazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "3-(benzimidazol-1-ylmethyl)-5-(6-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl)-1,2,4-oxadiazole",
"role": "assistant"
}
] |
297,725 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1]",
"smiles": "Cc1cc(C)cc(CS(=O)(=O)Cc2nc3c(s2)CC(C)CC3)c1"
} | 2-[(3,5-dimethylphenyl)methylsulfonylmethyl]-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "2-[(3,5-dimethylphenyl)methylsulfonylmethyl]-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole",
"role": "assistant"
}
] |
297,726 | {
"selfies": "[N][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][Ring2]",
"smiles": "N#Cc1c(F)cccc1N1CCNC(=O)CCN(C(=O)CN2CCCC2=O)CC1"
} | 2-fluoro-6-[8-oxo-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-1,4,7-triazecan-4-yl]benzonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-fluoro-6-[8-oxo-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-1,4,7-triazecan-4-yl]benzonitrile",
"role": "assistant"
}
] |
297,727 | {
"selfies": "[C][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=N][NH1][Ring2][Ring1][Ring2]",
"smiles": "Cc1nc(SCCC(=O)N2CCc3sccc3C2C)n[nH]1"
} | 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one",
"role": "assistant"
}
] |
297,728 | {
"selfies": "[C][N][C][=C][N][=C][Ring1][Branch1][C][O][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O]",
"smiles": "Cn1ccnc1C1OCCC1C(=O)Nc1nc(-c2cccnc2)cs1"
} | (2R,3R)-2-(1-methylimidazol-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxolane-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "(2R,3R)-2-(1-methylimidazol-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxolane-3-carboxamide",
"role": "assistant"
}
] |
297,729 | {
"selfies": "[C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][S][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][S][NH1][C][Ring2][Ring1][#Branch1][=O]",
"smiles": "CCn1c(=O)cc(N2CCC(Nc3ncnc4c3CCCC4)C2)[nH]c1=O"
} | 3-ethyl-6-[(3R)-3-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "3-ethyl-6-[(3R)-3-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione",
"role": "assistant"
}
] |
297,730 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][P][C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=N][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][#N]",
"smiles": "COc1ccc(CN2CCCCC2c2ncn[nH]2)cc1C#N"
} | 2-methoxy-5-[[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-methoxy-5-[[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzonitrile",
"role": "assistant"
}
] |
297,731 | {
"selfies": "[C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][=C][Branch1][P][N][C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][Ring1][#C][C]",
"smiles": "COC(c1ccccc1O)c1nnc(N2CCc3cc(C)ccc32)n1C"
} | 2-[methoxy-[4-methyl-5-(5-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazol-3-yl]methyl]phenol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[methoxy-[4-methyl-5-(5-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazol-3-yl]methyl]phenol",
"role": "assistant"
}
] |
297,732 | {
"selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]",
"smiles": "CN(C)C(=O)c1cccnc1N1CCC(c2ccccc2)CC1"
} | N,N-dimethyl-2-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "N,N-dimethyl-2-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide",
"role": "assistant"
}
] |
297,733 | {
"selfies": "[C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][S][C][C][C][Ring1][Ring1][O][Ring1][#Branch2][=C][S][Ring1][#C]",
"smiles": "c1cc(-c2nnc(CSC3CC3)o2)cs1"
} | 2-(cyclopropylsulfanylmethyl)-5-thiophen-3-yl-1,3,4-oxadiazole | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-(cyclopropylsulfanylmethyl)-5-thiophen-3-yl-1,3,4-oxadiazole",
"role": "assistant"
}
] |
297,734 | {
"selfies": "[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch2][C][=Branch1][C][=O][O]",
"smiles": "Cc1nn(-c2ccccc2)cc1CNC1C2CCCCC2C1C(=O)O"
} | (1R,6S,7S,8S)-8-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]bicyclo[4.2.0]octane-7-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(1R,6S,7S,8S)-8-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]bicyclo[4.2.0]octane-7-carboxylic acid",
"role": "assistant"
}
] |
297,735 | {
"selfies": "[F][C][Branch1][C][F][Branch1][C][F][C][C][N][C][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][S][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][C][Ring1][#Branch1][N][=N][Ring1][=C][C][Ring2][Ring1][Ring2]",
"smiles": "FC(F)(F)C1CNCC(n2cc(-c3cc4c(s3)CCNC4)nn2)C1"
} | 2-[1-[5-(trifluoromethyl)piperidin-3-yl]triazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2-[1-[5-(trifluoromethyl)piperidin-3-yl]triazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine",
"role": "assistant"
}
] |
297,736 | {
"selfies": "[O][=C][Branch1][C][O][C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][=N][NH1][C][Ring1][Branch1][=O][C][C][Ring1][N][O][Ring2][Ring1][Ring1]",
"smiles": "O=C(O)C1CCC(C(=O)N2CCC(n3cn[nH]c3=O)CC2)O1"
} | (2S,5R)-5-[4-(5-oxo-1H-1,2,4-triazol-4-yl)piperidine-1-carbonyl]oxolane-2-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "(2S,5R)-5-[4-(5-oxo-1H-1,2,4-triazol-4-yl)piperidine-1-carbonyl]oxolane-2-carboxylic acid",
"role": "assistant"
}
] |
297,737 | {
"selfies": "[O][=C][Branch1][O][C][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]",
"smiles": "O=C(COc1cncnc1)c1ccc(Oc2ccc(Cl)cc2)cc1"
} | 1-[4-(4-chlorophenoxy)phenyl]-2-pyrimidin-5-yloxyethanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "1-[4-(4-chlorophenoxy)phenyl]-2-pyrimidin-5-yloxyethanone",
"role": "assistant"
}
] |
297,738 | {
"selfies": "[C][N][N][=C][C][Branch2][Ring2][=Branch1][C][N][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][O][C][C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring2][=N][Ring2][Ring1][N]",
"smiles": "Cn1ncc(CN2CC(CC(=O)Nc3ccc(CCO)cc3)OCC23CCC3)n1"
} | N-[4-(2-hydroxyethyl)phenyl]-2-[5-[(2-methyltriazol-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[4-(2-hydroxyethyl)phenyl]-2-[5-[(2-methyltriazol-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonan-7-yl]acetamide",
"role": "assistant"
}
] |
297,739 | {
"selfies": "[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=N][=C][Ring2][Ring1][Branch1]",
"smiles": "C=CC(=O)Nc1cccc(C(=O)N2CCC(Oc3ccccc3Cl)C2)c1"
} | N-[3-[3-(2-chlorophenoxy)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "N-[3-[3-(2-chlorophenoxy)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide",
"role": "assistant"
}
] |
297,740 | {
"selfies": "[N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=N][O][C][Branch2][Ring1][C][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][=N][Ring2][Ring1][C]",
"smiles": "NC(CC(=O)O)c1noc(CC2CSc3ccccc3NC2=O)n1"
} | (3S)-3-amino-3-[5-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "(3S)-3-amino-3-[5-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid",
"role": "assistant"
}
] |
297,741 | {
"selfies": "[C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][NH1][C][Ring1][=Branch1][=O]",
"smiles": "CC(CNC(=O)c1cccc2ccccc12)NC(=O)c1ccn[nH]c1=O"
} | N-[(2R)-1-(naphthalene-1-carbonylamino)propan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "N-[(2R)-1-(naphthalene-1-carbonylamino)propan-2-yl]-6-oxo-1H-pyridazine-5-carboxamide",
"role": "assistant"
}
] |
297,742 | {
"selfies": "[C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Cl]",
"smiles": "C=CS(=O)(=O)NCc1ccc(OC)cc1Cl"
} | N-[(2-chloro-4-methoxyphenyl)methyl]ethenesulfonamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "N-[(2-chloro-4-methoxyphenyl)methyl]ethenesulfonamide",
"role": "assistant"
}
] |
297,743 | {
"selfies": "[O][=C][C][C][C][O][C][C][C][Ring1][#Branch1][=N][N][Ring1][#Branch2][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F]",
"smiles": "O=C1C2CCOCCC2=NN1c1cc(Br)ccc1F"
} | 2-(5-bromo-2-fluorophenyl)-4,5,7,8-tetrahydro-3aH-oxepino[4,5-c]pyrazol-3-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-(5-bromo-2-fluorophenyl)-4,5,7,8-tetrahydro-3aH-oxepino[4,5-c]pyrazol-3-one",
"role": "assistant"
}
] |
297,744 | {
"selfies": "[C][C][O][C][C][Branch2][Ring2][#C][C][C][N][Branch2][Ring2][Ring2][C][=C][N][=C][C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][N][=N][NH1][C][Ring1][P][=N][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O][C][Ring2][Ring1][#C][N]",
"smiles": "CC1OCC2(CCN(c3cnc4c(N5CCc6ccc(C#N)cc6C5)n[nH]c4n3)CC2)C1N"
} | 2-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile",
"role": "assistant"
}
] |
297,745 | {
"selfies": "[O][=C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][C][C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]",
"smiles": "O=C1CN(C(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)Cc2ccccc2N1"
} | 4-[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "4-[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one",
"role": "assistant"
}
] |
297,746 | {
"selfies": "[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][=C][NH1][N][Ring1][Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][O][C][C]",
"smiles": "CCOc1ccc(NC(=O)CSc2nnc3nc[nH]n23)cc1OCC"
} | N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide",
"role": "assistant"
}
] |
297,747 | {
"selfies": "[O][=C][Branch1][C][O][C][C][Branch1][C][O][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2]",
"smiles": "O=C(O)C1C(O)CCCN1C(=O)Cc1csc(-c2ccsc2)n1"
} | 3-hydroxy-1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "3-hydroxy-1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid",
"role": "assistant"
}
] |
297,748 | {
"selfies": "[C][#C][C][C][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1][N][=N][Ring2][Ring1][Branch1]",
"smiles": "C#CCCC1(CCNC(=O)CC(c2ccccc2)n2cnnn2)N=N1"
} | N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-phenyl-3-(tetrazol-1-yl)propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-phenyl-3-(tetrazol-1-yl)propanamide",
"role": "assistant"
}
] |
297,749 | {
"selfies": "[C][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O]",
"smiles": "CN1CCN(CCCNC2CCc3cccnc3CC2)C(c2ccccc2)C1"
} | N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-amine",
"role": "assistant"
}
] |
297,750 | {
"selfies": "[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][S][C][O][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring1][P]",
"smiles": "FC(F)(F)c1ccc(COc2cnc3ccnn3c2)cc1"
} | 6-[[4-(trifluoromethyl)phenyl]methoxy]pyrazolo[1,5-a]pyrimidine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "6-[[4-(trifluoromethyl)phenyl]methoxy]pyrazolo[1,5-a]pyrimidine",
"role": "assistant"
}
] |
297,751 | {
"selfies": "[C][#C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch2][Ring1][=Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]",
"smiles": "C#CC(C)(C)C(=O)N1CCOCC2(COCCN2C(=O)Cc2cccnc2C)C1"
} | 2,2-dimethyl-1-[1-[2-(2-methylpyridin-3-yl)acetyl]-4,11-dioxa-1,8-diazaspiro[5.6]dodecan-8-yl]but-3-yn-1-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "2,2-dimethyl-1-[1-[2-(2-methylpyridin-3-yl)acetyl]-4,11-dioxa-1,8-diazaspiro[5.6]dodecan-8-yl]but-3-yn-1-one",
"role": "assistant"
}
] |
297,752 | {
"selfies": "[O][=C][Branch1][C][O][C][N][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][C][=O]",
"smiles": "O=C(O)Cn1ccnc(NCc2ccc3c(c2)CCCO3)c1=O"
} | 2-[3-(3,4-dihydro-2H-chromen-6-ylmethylamino)-2-oxopyrazin-1-yl]acetic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "2-[3-(3,4-dihydro-2H-chromen-6-ylmethylamino)-2-oxopyrazin-1-yl]acetic acid",
"role": "assistant"
}
] |
297,753 | {
"selfies": "[O][=C][Branch2][Ring1][Ring1][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=N][Ring1][N]",
"smiles": "O=C(Cc1coc(-c2ccccc2)n1)Nc1cc(N2CCNCC2)ccn1"
} | 2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-piperazin-1-ylpyridin-2-yl)acetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-piperazin-1-ylpyridin-2-yl)acetamide",
"role": "assistant"
}
] |
297,754 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][C][Ring1][#Branch1][C][C][O][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]",
"smiles": "COc1ccc(-n2cc(O)c(C(=O)N3CC(OC)CC3CCO)n2)cc1"
} | [(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]-[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]methanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]-[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]methanone",
"role": "assistant"
}
] |
297,755 | {
"selfies": "[C][N][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring2][Ring1][=Branch2]",
"smiles": "Cn1cc(NC(=O)NCc2cc(F)ccc2CS(C)(=O)=O)c(C(F)F)n1"
} | 1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]urea | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]urea",
"role": "assistant"
}
] |
297,756 | {
"selfies": "[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N]",
"smiles": "O=C(O)c1cc(=O)[nH]c2c1CN(C(=O)c1cc(-c3cccc4ccccc34)nc3ccccc13)CC2"
} | 6-(2-naphthalen-1-ylquinoline-4-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "6-(2-naphthalen-1-ylquinoline-4-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylic acid",
"role": "assistant"
}
] |
297,757 | {
"selfies": "[O][C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][=N][Ring1][O][=C][Ring2][Ring1][C]",
"smiles": "OCc1ccc(F)c(-n2cc(Cn3cccn3)nn2)c1"
} | [4-fluoro-3-[4-(pyrazol-1-ylmethyl)triazol-1-yl]phenyl]methanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "[4-fluoro-3-[4-(pyrazol-1-ylmethyl)triazol-1-yl]phenyl]methanol",
"role": "assistant"
}
] |
297,758 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][C][Branch1][C][O][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][N][=O][C][Ring1][N][=C][Ring2][Ring1][Ring2]",
"smiles": "Cc1cc(C)cc(CN2CCC(O)(C(F)(F)C(N)=O)C2)c1"
} | 2-[1-[(3,5-dimethylphenyl)methyl]-3-hydroxypyrrolidin-3-yl]-2,2-difluoroacetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[1-[(3,5-dimethylphenyl)methyl]-3-hydroxypyrrolidin-3-yl]-2,2-difluoroacetamide",
"role": "assistant"
}
] |
Subsets and Splits