Product OPENEYE NAME: 3-amino-2-thioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-olate
CAS Name: 3-amino-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate
IUPAC NAME: 3-amino-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate
SYSTEMATIC NAME: 3-azanyl-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-olate
MOLECULAR FORMULA: C10H10N3OS2-
MOLECULAR WEIGHT: 252.3359
SMILES: C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)N)[O-]
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Product OPENEYE NAME: 1-amino-4-ethyl-2-imino-5-methyl-pyridine-3-carbonitrile
CAS Name: 1-amino-4-ethyl-2-imino-5-methyl-3-pyridinecarbonitrile
IUPAC NAME: 1-amino-4-ethyl-2-imino-5-methylpyridine-3-carbonitrile
SYSTEMATIC NAME: 1-azanyl-2-azanylidene-4-ethyl-5-methyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C9H12N4
MOLECULAR WEIGHT: 176.21838
SMILES: CCC1=C(C(=N)N(C=C1C)N)C#N
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Product OPENEYE NAME: 3-amino-2-imino-5,6-dihydrobenzo[f]isoquinoline-1-carbonitrile
CAS Name: 3-amino-2-imino-5,6-dihydrobenzo[f]isoquinoline-1-carbonitrile
IUPAC NAME: 3-amino-2-imino-5,6-dihydrobenzo[f]isoquinoline-1-carbonitrile
SYSTEMATIC NAME: 3-azanyl-2-azanylidene-5,6-dihydrobenzo[f]isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: C1CC2=CN(C(=N)C(=C2C3=CC=CC=C31)C#N)N
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Product OPENEYE NAME: 2-amino-3-imino-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-4-carbonitrile
CAS Name: 2-amino-3-imino-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-4-carbonitrile
IUPAC NAME: 2-amino-3-imino-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-4-carbonitrile
SYSTEMATIC NAME: 2-azanyl-3-azanylidene-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-4-carbonitrile
MOLECULAR FORMULA: C11H14N4
MOLECULAR WEIGHT: 202.25566
SMILES: C1CCC2=CN(C(=N)C(=C2CC1)C#N)N
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Product OPENEYE NAME: 2-phenylimino-4-(p-tolyl)pyrimidin-1-amine
CAS Name: 4-(4-methylphenyl)-2-phenylimino-1-pyrimidinamine
IUPAC NAME: 4-(4-methylphenyl)-2-phenyliminopyrimidin-1-amine
SYSTEMATIC NAME: 4-(4-methylphenyl)-2-phenylimino-pyrimidin-1-amine
MOLECULAR FORMULA: C17H16N4
MOLECULAR WEIGHT: 276.33574
SMILES: CC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C3)N(C=C2)N
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Product OPENEYE NAME: 2-(4-methoxyphenyl)imino-4-phenyl-pyrimidin-1-amine
CAS Name: 2-(4-methoxyphenyl)imino-4-phenyl-1-pyrimidinamine
IUPAC NAME: 2-(4-methoxyphenyl)imino-4-phenylpyrimidin-1-amine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)imino-4-phenyl-pyrimidin-1-amine
MOLECULAR FORMULA: C17H16N4O
MOLECULAR WEIGHT: 292.33514
SMILES: COC1=CC=C(C=C1)N=C2N=C(C=CN2N)C3=CC=CC=C3
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Product OPENEYE NAME: N-(2-acetyl-5-isopropyl-4-methyl-pyrazol-3-yl)acetamide
CAS Name: N-(2-acetyl-4-methyl-5-propan-2-yl-3-pyrazolyl)acetamide
IUPAC NAME: N-(2-acetyl-4-methyl-5-propan-2-ylpyrazol-3-yl)acetamide
SYSTEMATIC NAME: N-(2-ethanoyl-4-methyl-5-propan-2-yl-pyrazol-3-yl)ethanamide
MOLECULAR FORMULA: C11H17N3O2
MOLECULAR WEIGHT: 223.27158
SMILES: CC1=C(N(N=C1C(C)C)C(=O)C)NC(=O)C
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Product OPENEYE NAME: 5-tert-butyl-4-methyl-1H-pyrazol-3-amine
CAS Name: 5-tert-butyl-4-methyl-1H-pyrazol-3-amine
IUPAC NAME: 5-tert-butyl-4-methyl-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-tert-butyl-4-methyl-1H-pyrazol-3-amine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CC1=C(NN=C1N)C(C)(C)C
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Product OPENEYE NAME: 1-[7-[(E)-2-(dimethylamino)vinyl]-2-methyl-3-nitro-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CAS Name: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-methyl-3-nitro-6-pyrazolo[1,5-a]pyrimidinyl]ethanone
IUPAC NAME: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-methyl-3-nitropyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SYSTEMATIC NAME: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-methyl-3-nitro-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
MOLECULAR FORMULA: C13H15N5O3
MOLECULAR WEIGHT: 289.2899
SMILES: CC1=NN2C(=C(C=NC2=C1[N+](=O)[O-])C(=O)C)/C=C/N(C)C
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Product OPENEYE NAME: 1-[7-[(E)-2-(dimethylamino)vinyl]-2-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CAS Name: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-phenyl-6-pyrazolo[1,5-a]pyrimidinyl]ethanone
IUPAC NAME: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SYSTEMATIC NAME: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
MOLECULAR FORMULA: C18H18N4O
MOLECULAR WEIGHT: 306.36172
SMILES: CC(=O)C1=C(N2C(=CC(=N2)C3=CC=CC=C3)N=C1)/C=C/N(C)C
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Product OPENEYE NAME: 1-[7-[(E)-2-(dimethylamino)vinyl]-2-(2-thienyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CAS Name: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-thiophen-2-yl-6-pyrazolo[1,5-a]pyrimidinyl]ethanone
IUPAC NAME: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SYSTEMATIC NAME: 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
MOLECULAR FORMULA: C16H16N4OS
MOLECULAR WEIGHT: 312.38944
SMILES: CC(=O)C1=C(N2C(=CC(=N2)C3=CC=CS3)N=C1)/C=C/N(C)C
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Product OPENEYE NAME: N-(2-acetyl-5-tert-butyl-4-methyl-pyrazol-3-yl)acetamide
CAS Name: N-(2-acetyl-5-tert-butyl-4-methyl-3-pyrazolyl)acetamide
IUPAC NAME: N-(2-acetyl-5-tert-butyl-4-methylpyrazol-3-yl)acetamide
SYSTEMATIC NAME: N-(5-tert-butyl-2-ethanoyl-4-methyl-pyrazol-3-yl)ethanamide
MOLECULAR FORMULA: C12H19N3O2
MOLECULAR WEIGHT: 237.29816
SMILES: CC1=C(N(N=C1C(C)(C)C)C(=O)C)NC(=O)C
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Product OPENEYE NAME: methyl 3-hydroxy-3-methyl-6,6-diphenyl-dioxane-4-carboxylate
CAS Name: 3-hydroxy-3-methyl-6,6-diphenyl-4-dioxanecarboxylic acid methyl ester
IUPAC NAME: methyl 3-hydroxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
SYSTEMATIC NAME: methyl 3-methyl-3-oxidanyl-6,6-diphenyl-1,2-dioxane-4-carboxylate
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: CC1(C(CC(OO1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)O
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Product OPENEYE NAME: 1-[2-methyl-5-(p-tolyl)-3-furyl]ethanone
CAS Name: 1-[2-methyl-5-(4-methylphenyl)-3-furanyl]ethanone
IUPAC NAME: 1-[2-methyl-5-(4-methylphenyl)furan-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-methyl-5-(4-methylphenyl)furan-3-yl]ethanone
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: CC1=CC=C(C=C1)C2=CC(=C(O2)C)C(=O)C
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Product OPENEYE NAME: 3-hydroxy-3-methyl-6,6-diphenyl-dioxane-4-carboxamide
CAS Name: 3-hydroxy-3-methyl-6,6-diphenyl-4-dioxanecarboxamide
IUPAC NAME: 3-hydroxy-3-methyl-6,6-diphenyldioxane-4-carboxamide
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-6,6-diphenyl-1,2-dioxane-4-carboxamide
MOLECULAR FORMULA: C18H19NO4
MOLECULAR WEIGHT: 313.34776
SMILES: CC1(C(CC(OO1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N)O
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MOLECULAR FORMULA: C21H27N5O2
MOLECULAR WEIGHT: 381.47138
SMILES: CN1CCN(CC1)CCCN2C(=O)C3CC4=C(CN3C2=O)NC5=CC=CC=C45
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MOLECULAR FORMULA: C25H26ClN5O2
MOLECULAR WEIGHT: 463.95924
SMILES: C1CN(CCN1CCN2C(=O)C3CC4=C(CN3C2=O)NC5=CC=CC=C45)C6=CC=C(C=C6)Cl
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MOLECULAR FORMULA: C25H29N7O2
MOLECULAR WEIGHT: 459.54346
SMILES: C1CN(CCN1CCCCN2C(=O)C3CC4=C(CN3C2=O)NC5=CC=CC=C45)C6=NC=CC=N6
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MOLECULAR FORMULA: C26H31N7O2
MOLECULAR WEIGHT: 473.57004
SMILES: C[C@H]1C2=C(C[C@@H]3N1C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5)C6=CC=CC=C6N2
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MOLECULAR FORMULA: C31H33N7O2
MOLECULAR WEIGHT: 535.63942
SMILES: C1CN(CCN1CCCCN2C(=O)[C@H]3CC4=C([C@@H](N3C2=O)C5=CC=CC=C5)NC6=CC=CC=C46)C7=NC=CC=N7
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Product OPENEYE NAME: (2S)-2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-pyrrolidinyl]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrolidin-1-yl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N6O6
MOLECULAR WEIGHT: 444.44116
SMILES: C1CN(CC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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Product OPENEYE NAME: (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidyl]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidinyl]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]piperidin-1-yl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H26N6O6
MOLECULAR WEIGHT: 458.46774
SMILES: C1CN(CCC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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