Sunday, April 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
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MOLECULAR FORMULA: C25H23N3O5
MOLECULAR WEIGHT: 445.46722
SMILES: CCOC1=CC2=C3C(=C1)C(=CC(N3C(=O)[C@@]24C(=C(OC5=C4C(=O)OC(=C5)C)N)C#N)(C)C)C
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MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCOC(=O)C1=C(OC(=C([C@]12C3=C(C=CC4=C3N(C2=O)C(C[C@H]4C)(C)C)C)C#N)N)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCOC(=O)C1=C(OC(=C([C@@]12C3=C(C=CC4=C3N(C2=O)C(C[C@H]4C)(C)C)C)C#N)N)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCOC(=O)C1=C(OC(=C([C@]12C3=C(C=CC4=C3N(C2=O)C(C[C@@H]4C)(C)C)C)C#N)N)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCOC(=O)C1=C(OC(=C([C@@]12C3=C(C=CC4=C3N(C2=O)C(C[C@@H]4C)(C)C)C)C#N)N)C
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MOLECULAR FORMULA: C24H23N3O3
MOLECULAR WEIGHT: 401.45772
SMILES: C[C@H]1CC(N2C3=C1C=CC(=C3[C@@]4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)C)(C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C24H23N3O3
MOLECULAR WEIGHT: 401.45772
SMILES: C[C@@H]1CC(N2C3=C1C=CC(=C3[C@]4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)C)(C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C24H23N3O3
MOLECULAR WEIGHT: 401.45772
SMILES: C[C@H]1CC(N2C3=C1C=CC(=C3[C@]4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)C)(C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: CC1=CC(N2C3=C(C=C(C=C13)OC)[C@@]4(C2=O)C(=C(OC5=NNC(=C45)C)N)C#N)(C)C
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MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: CC1=CC(N2C3=C(C=C(C=C13)OC)[C@]4(C2=O)C(=C(OC5=NNC(=C45)C)N)C#N)(C)C
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Product OPENEYE NAME: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one
CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4,8-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one
IUPAC NAME: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one
MOLECULAR FORMULA: C21H18ClN5OS
MOLECULAR WEIGHT: 423.91852
SMILES: CC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 4,7-dimethyl-N-[3-(2-morpholinoethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CAS Name: 4,7-dimethyl-N-[3-[2-(4-morpholinyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-2-quinazolinamine
IUPAC NAME: 4,7-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SYSTEMATIC NAME: 4,7-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
MOLECULAR FORMULA: C19H27N7O
MOLECULAR WEIGHT: 369.46398
SMILES: CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NCN(CN3)CCN4CCOCC4)C
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Product OPENEYE NAME: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenyl-pyrimidine-5-carboxylate
CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-phenyl-5-pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenyl-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C20H16N4O3
MOLECULAR WEIGHT: 360.36604
SMILES: CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)NC3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: (10R)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CAS Name: (10R)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
IUPAC NAME: (10R)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SYSTEMATIC NAME: (10R)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
MOLECULAR FORMULA: C27H27NO5
MOLECULAR WEIGHT: 445.50698
SMILES: CC1(CC2=C([C@H](C3=C(N2)C4=CC=CC=C4C3=O)C5=C(C(=C(C=C5)OC)OC)OC)C(=O)C1)C
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Product OPENEYE NAME: (10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CAS Name: (10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
IUPAC NAME: (10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SYSTEMATIC NAME: (10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
MOLECULAR FORMULA: C27H27NO5
MOLECULAR WEIGHT: 445.50698
SMILES: CC1(CC2=C([C@@H](C3=C(N2)C4=CC=CC=C4C3=O)C5=C(C(=C(C=C5)OC)OC)OC)C(=O)C1)C
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Product OPENEYE NAME: (10S)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CAS Name: (10S)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
IUPAC NAME: (10S)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SYSTEMATIC NAME: (10S)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
MOLECULAR FORMULA: C25H23NO5
MOLECULAR WEIGHT: 417.45382
SMILES: COC1=CC(=C(C=C1[C@H]2C3=C(CCCC3=O)NC4=C2C(=O)C5=CC=CC=C54)OC)OC
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Product OPENEYE NAME: (10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CAS Name: (10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
IUPAC NAME: (10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SYSTEMATIC NAME: (10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
MOLECULAR FORMULA: C25H23NO5
MOLECULAR WEIGHT: 417.45382
SMILES: COC1=CC(=C(C=C1[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)C5=CC=CC=C54)OC)OC
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Product OPENEYE NAME: (10S)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CAS Name: (10S)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
IUPAC NAME: (10S)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SYSTEMATIC NAME: (10S)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
MOLECULAR FORMULA: C25H23NO5
MOLECULAR WEIGHT: 417.45382
SMILES: COC1=C(C(=C(C=C1)[C@H]2C3=C(CCCC3=O)NC4=C2C(=O)C5=CC=CC=C54)OC)OC
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Product OPENEYE NAME: (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CAS Name: (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
IUPAC NAME: (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SYSTEMATIC NAME: (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
MOLECULAR FORMULA: C25H23NO5
MOLECULAR WEIGHT: 417.45382
SMILES: COC1=C(C(=C(C=C1)[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)C5=CC=CC=C54)OC)OC
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Product OPENEYE NAME: methyl (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CAS Name: (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-methyl-5-oxidanylidene-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C24H23NO6
MOLECULAR WEIGHT: 421.44252
SMILES: CC1=C([C@H](C2=C(N1)C3=CC=CC=C3C2=O)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OC
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Product OPENEYE NAME: methyl (4R)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CAS Name: (4R)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-methyl-5-oxidanylidene-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C24H23NO6
MOLECULAR WEIGHT: 421.44252
SMILES: CC1=C([C@@H](C2=C(N1)C3=CC=CC=C3C2=O)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OC
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Product OPENEYE NAME: ethyl (4R)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CAS Name: (4R)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-methyl-5-oxidanylidene-4-(2,3,4-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C25H25NO6
MOLECULAR WEIGHT: 435.4691
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)C4=CC=CC=C42)C
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