Tuesday, May 14, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 5-chloro-2-(cyclohexylamino)pyrimidine-4-carboxylate
CAS Name: 5-chloro-2-(cyclohexylamino)-4-pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-chloro-2-(cyclohexylamino)pyrimidine-4-carboxylate
SYSTEMATIC NAME: ethyl 5-chloranyl-2-(cyclohexylamino)pyrimidine-4-carboxylate
MOLECULAR FORMULA: C13H18ClN3O2
MOLECULAR WEIGHT: 283.75392
SMILES: CCOC(=O)C1=NC(=NC=C1Cl)NC2CCCCC2
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Product OPENEYE NAME: methyl 2-(4-methyl-1-piperidyl)pyridine-3-carboxylate
CAS Name: 2-(4-methyl-1-piperidinyl)-3-pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-(4-methylpiperidin-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CC1CCN(CC1)C2=C(C=CC=N2)C(=O)OC
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Product OPENEYE NAME: methyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylate
CAS Name: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylate
MOLECULAR FORMULA: C16H15F3N2O2
MOLECULAR WEIGHT: 324.29771
SMILES: CN(CC1=CC=C(C=C1)C(F)(F)F)C2=C(C=CC=N2)C(=O)OC
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Product OPENEYE NAME: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-4-carbonitrile
CAS Name: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-4-pyridinecarbonitrile
IUPAC NAME: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-4-carbonitrile
SYSTEMATIC NAME: 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-4-carbonitrile
MOLECULAR FORMULA: C15H12F3N3
MOLECULAR WEIGHT: 291.27109
SMILES: CN(CC1=CC=C(C=C1)C(F)(F)F)C2=NC=CC(=C2)C#N
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Product OPENEYE NAME: 6-tert-butyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CAS Name: 6-tert-butyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-imidazo[2,1-b][1,3,4]thiadiazolamine
IUPAC NAME: 6-tert-butyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SYSTEMATIC NAME: 6-tert-butyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine
MOLECULAR FORMULA: C18H22N4O2S
MOLECULAR WEIGHT: 358.45788
SMILES: CC(C)(C)C1=CN2C(=N1)SC(=N2)N(C)C[C@@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: 6-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CAS Name: 6-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-imidazo[2,1-b][1,3,4]thiadiazolamine
IUPAC NAME: 6-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SYSTEMATIC NAME: 6-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine
MOLECULAR FORMULA: C18H22N4O2S
MOLECULAR WEIGHT: 358.45788
SMILES: CC(C)(C)C1=CN2C(=N1)SC(=N2)N(C)C[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: 2-[3-[benzyl(methyl)amino]propylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-methyl-2-[3-[methyl-(phenylmethyl)amino]propylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
IUPAC NAME: 2-[3-[benzyl(methyl)amino]propylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-methyl-2-[3-[methyl-(phenylmethyl)amino]propylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C17H21N5OS
MOLECULAR WEIGHT: 343.44654
SMILES: CC1=CC(=O)N2C(=N1)SC(=N2)NCCCN(C)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[3-[[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CAS Name: N-[3-[[(6-tert-butyl-2-imidazo[2,1-b][1,3,4]thiadiazolyl)amino]methyl]phenyl]cyclopropanecarboxamide
IUPAC NAME: N-[3-[[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenyl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[3-[[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenyl]cyclopropanecarboxamide
MOLECULAR FORMULA: C19H23N5OS
MOLECULAR WEIGHT: 369.48382
SMILES: CC(C)(C)C1=CN2C(=N1)SC(=N2)NCC3=CC(=CC=C3)NC(=O)C4CC4
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Product OPENEYE NAME: 4-methyl-5-[methyl(phenyl)sulfamoyl]thiazol-2-olate
CAS Name: 4-methyl-5-[methyl(phenyl)sulfamoyl]-2-thiazololate
IUPAC NAME: 4-methyl-5-[methyl(phenyl)sulfamoyl]-1,3-thiazol-2-olate
SYSTEMATIC NAME: 4-methyl-5-[methyl(phenyl)sulfamoyl]-1,3-thiazol-2-olate
MOLECULAR FORMULA: C11H11N2O3S2-
MOLECULAR WEIGHT: 283.34664
SMILES: CC1=C(SC(=N1)[O-])S(=O)(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: N,4-dimethyl-2-oxo-N-phenyl-3H-thiazole-5-sulfonamide
CAS Name: N,4-dimethyl-2-oxo-N-phenyl-3H-thiazole-5-sulfonamide
IUPAC NAME: N,4-dimethyl-2-oxo-N-phenyl-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N,4-dimethyl-2-oxidanylidene-N-phenyl-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C11H12N2O3S2
MOLECULAR WEIGHT: 284.35458
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: (2-chloro-3-pyridyl)sulfonyl-[3-(trifluoromethyl)phenyl]azanide
CAS Name: (2-chloro-3-pyridinyl)sulfonyl-[3-(trifluoromethyl)phenyl]azanide
IUPAC NAME: (2-chloropyridin-3-yl)sulfonyl-[3-(trifluoromethyl)phenyl]azanide
SYSTEMATIC NAME: (2-chloranylpyridin-3-yl)sulfonyl-[3-(trifluoromethyl)phenyl]azanide
MOLECULAR FORMULA: C12H7ClF3N2O2S-
MOLECULAR WEIGHT: 335.70939
SMILES: C1=CC(=CC(=C1)[N-]S(=O)(=O)C2=C(N=CC=C2)Cl)C(F)(F)F
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Product OPENEYE NAME: 2-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
CAS Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]-3-pyridinesulfonamide
IUPAC NAME: 2-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
MOLECULAR FORMULA: C12H8ClF3N2O2S
MOLECULAR WEIGHT: 336.71733
SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=C(N=CC=C2)Cl)C(F)(F)F
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Product OPENEYE NAME: (2-chloro-3-pyridyl)sulfonyl-[3-(1-piperidylsulfonyl)phenyl]azanide
CAS Name: (2-chloro-3-pyridinyl)sulfonyl-[3-(1-piperidinylsulfonyl)phenyl]azanide
IUPAC NAME: (2-chloropyridin-3-yl)sulfonyl-(3-piperidin-1-ylsulfonylphenyl)azanide
SYSTEMATIC NAME: (2-chloranylpyridin-3-yl)sulfonyl-(3-piperidin-1-ylsulfonylphenyl)azanide
MOLECULAR FORMULA: C16H17ClN3O4S2-
MOLECULAR WEIGHT: 414.90688
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N-]S(=O)(=O)C3=C(N=CC=C3)Cl
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Product OPENEYE NAME: 2-chloro-N-[3-(1-piperidylsulfonyl)phenyl]pyridine-3-sulfonamide
CAS Name: 2-chloro-N-[3-(1-piperidinylsulfonyl)phenyl]-3-pyridinesulfonamide
IUPAC NAME: 2-chloro-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-sulfonamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-sulfonamide
MOLECULAR FORMULA: C16H18ClN3O4S2
MOLECULAR WEIGHT: 415.91482
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=C(N=CC=C3)Cl
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Product OPENEYE NAME: (2-chloro-4-methyl-phenyl)-[(2-chloro-3-pyridyl)sulfonyl]azanide
CAS Name: (2-chloro-4-methylphenyl)-[(2-chloro-3-pyridinyl)sulfonyl]azanide
IUPAC NAME: (2-chloro-4-methylphenyl)-(2-chloropyridin-3-yl)sulfonylazanide
SYSTEMATIC NAME: (2-chloranyl-4-methyl-phenyl)-(2-chloranylpyridin-3-yl)sulfonyl-azanide
MOLECULAR FORMULA: C12H9Cl2N2O2S-
MOLECULAR WEIGHT: 316.18306
SMILES: CC1=CC(=C(C=C1)[N-]S(=O)(=O)C2=C(N=CC=C2)Cl)Cl
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Product OPENEYE NAME: 2-chloro-N-(2-chloro-4-methyl-phenyl)pyridine-3-sulfonamide
CAS Name: 2-chloro-N-(2-chloro-4-methylphenyl)-3-pyridinesulfonamide
IUPAC NAME: 2-chloro-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloranyl-4-methyl-phenyl)pyridine-3-sulfonamide
MOLECULAR FORMULA: C12H10Cl2N2O2S
MOLECULAR WEIGHT: 317.191
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(N=CC=C2)Cl)Cl
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Product OPENEYE NAME: 5-indolin-1-ylsulfonyl-4-methyl-thiazol-2-olate
CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-2-thiazololate
IUPAC NAME: 5-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-1,3-thiazol-2-olate
SYSTEMATIC NAME: 5-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-1,3-thiazol-2-olate
MOLECULAR FORMULA: C12H11N2O3S2-
MOLECULAR WEIGHT: 295.35734
SMILES: CC1=C(SC(=N1)[O-])S(=O)(=O)N2CCC3=CC=CC=C32
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Product OPENEYE NAME: 5-indolin-1-ylsulfonyl-4-methyl-3H-thiazol-2-one
CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-3H-thiazol-2-one
IUPAC NAME: 5-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C12H12N2O3S2
MOLECULAR WEIGHT: 296.36528
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N2CCC3=CC=CC=C32
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Product OPENEYE NAME: (4-chloro-2-fluoro-phenyl)-[(2-chloro-3-pyridyl)sulfonyl]azanide
CAS Name: (4-chloro-2-fluorophenyl)-[(2-chloro-3-pyridinyl)sulfonyl]azanide
IUPAC NAME: (4-chloro-2-fluorophenyl)-(2-chloropyridin-3-yl)sulfonylazanide
SYSTEMATIC NAME: (4-chloranyl-2-fluoranyl-phenyl)-(2-chloranylpyridin-3-yl)sulfonyl-azanide
MOLECULAR FORMULA: C11H6Cl2FN2O2S-
MOLECULAR WEIGHT: 320.146943
SMILES: C1=CC(=C(N=C1)Cl)S(=O)(=O)[N-]C2=C(C=C(C=C2)Cl)F
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