Thursday, March 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
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MOLECULAR FORMULA: C23H20N4
MOLECULAR WEIGHT: 352.4317
SMILES: C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCC5=CC=CC=C5)C#N
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MOLECULAR FORMULA: C19H14N6
MOLECULAR WEIGHT: 326.35466
SMILES: C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=NC=CC=N5)C#N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C23H20N4
MOLECULAR WEIGHT: 352.4317
SMILES: CC1=CC(=C(C=C1)C)NC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N
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MOLECULAR FORMULA: C22H18N4O
MOLECULAR WEIGHT: 354.40452
SMILES: COC1=CC=C(C=C1)NC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N
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MOLECULAR FORMULA: C23H19N5O
MOLECULAR WEIGHT: 381.42986
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N
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MOLECULAR FORMULA: C23H18N4O
MOLECULAR WEIGHT: 366.41522
SMILES: CC(=O)C1=CC=C(C=C1)NC2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N
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Product OPENEYE NAME: N6-methyl-N2,N2-diphenyl-N4-(p-tolyl)-1,3,5-triazine-2,4,6-triamine
CAS Name: N6-methyl-N4-(4-methylphenyl)-N2,N2-diphenyl-1,3,5-triazine-2,4,6-triamine
IUPAC NAME: 6-N-methyl-4-N-(4-methylphenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N6-methyl-N4-(4-methylphenyl)-N2,N2-diphenyl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C23H22N6
MOLECULAR WEIGHT: 382.46098
SMILES: CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)NC
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Product OPENEYE NAME: methyl 2-[[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]acetate
CAS Name: 2-[[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]acetic acid methyl ester
IUPAC NAME: methyl 2-[[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[4-chloranyl-6-(diphenylamino)-1,3,5-triazin-2-yl]amino]ethanoate
MOLECULAR FORMULA: C18H16ClN5O2
MOLECULAR WEIGHT: 369.80494
SMILES: COC(=O)CNC1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-methoxy-6-morpholino-N-phenyl-1,3,5-triazin-2-amine
CAS Name: 4-methoxy-6-(4-morpholinyl)-N-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C14H17N5O2
MOLECULAR WEIGHT: 287.31708
SMILES: COC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCOCC3
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Product OPENEYE NAME: 4,6-bis(3,5-dimethylpyrazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CAS Name: 4,6-bis(3,5-dimethyl-1-pyrazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-bis(3,5-dimethylpyrazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(3,5-dimethylpyrazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C25H24N8
MOLECULAR WEIGHT: 436.51166
SMILES: CC1=CC(=NN1C2=NC(=NC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)N5C(=CC(=N5)C)C)C
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Product OPENEYE NAME: N4-methyl-N2,N2-diphenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CAS Name: N4-methyl-N2,N2-diphenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 4-N-methyl-2-N,2-N-diphenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N4-methyl-N2,N2-diphenyl-6-[2,2,3,3-tetrakis(fluoranyl)propoxy]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C19H17F4N5O
MOLECULAR WEIGHT: 407.364793
SMILES: CNC1=NC(=NC(=N1)OCC(C(F)F)(F)F)N(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(3,5-dimethylpyrazol-1-yl)-N,N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N,N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
IUPAC NAME: 4-(3,5-dimethylpyrazol-1-yl)-N,N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-(3,5-dimethylpyrazol-1-yl)-N,N-diphenyl-6-[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C22H19F3N6O
MOLECULAR WEIGHT: 440.42107
SMILES: CC1=CC(=NN1C2=NC(=NC(=N2)OCC(F)(F)F)N(C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: 4,6-bis(3,5-dimethylpyrazol-1-yl)-N-(o-tolyl)-1,3,5-triazin-2-amine
CAS Name: 4,6-bis(3,5-dimethyl-1-pyrazolyl)-N-(2-methylphenyl)-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-bis(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C20H22N8
MOLECULAR WEIGHT: 374.44228
SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)N3C(=CC(=N3)C)C)N4C(=CC(=N4)C)C
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Product OPENEYE NAME: (4-nitrophenyl)methyl (2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CAS Name: (2R)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl (2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (4-nitrophenyl)methyl (2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C18H17ClN2O6S
MOLECULAR WEIGHT: 424.85538
SMILES: C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (4-nitrophenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (4-nitrophenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C18H17ClN2O6S
MOLECULAR WEIGHT: 424.85538
SMILES: C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (1S)-N-(2-ethoxyphenyl)-2,2-bis(p-tolyl)cyclopropanecarboxamide
CAS Name: (1S)-N-(2-ethoxyphenyl)-2,2-bis(4-methylphenyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1S)-N-(2-ethoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1S)-N-(2-ethoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C26H27NO2
MOLECULAR WEIGHT: 385.49808
SMILES: CCOC1=CC=CC=C1NC(=O)[C@H]2CC2(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
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Product OPENEYE NAME: (1R)-N-(2-ethoxyphenyl)-2,2-bis(p-tolyl)cyclopropanecarboxamide
CAS Name: (1R)-N-(2-ethoxyphenyl)-2,2-bis(4-methylphenyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1R)-N-(2-ethoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1R)-N-(2-ethoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C26H27NO2
MOLECULAR WEIGHT: 385.49808
SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H]2CC2(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 9-(4-nitrophenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 9-(4-nitrophenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 9-(4-nitrophenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 9-(4-nitrophenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C25H22N2O4
MOLECULAR WEIGHT: 414.45318
SMILES: C1CC2=C(C(C3=C(N2C4=CC=CC=C4)CCCC3=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1
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