Friday, June 21, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-isopropyl-N-(5-methyl-2-pyridyl)-1-(2-pyridyl)pyrazole-4-carboxamide
CAS Name: N-(5-methyl-2-pyridinyl)-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(5-methylpyridin-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(5-methylpyridin-2-yl)-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H19N5O
MOLECULAR WEIGHT: 321.37636
SMILES: CC1=CN=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C
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Product OPENEYE NAME: 5-isopropyl-N-(4-methyl-2-pyridyl)-1-(2-pyridyl)pyrazole-4-carboxamide
CAS Name: N-(4-methyl-2-pyridinyl)-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(4-methylpyridin-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(4-methylpyridin-2-yl)-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H19N5O
MOLECULAR WEIGHT: 321.37636
SMILES: CC1=CC(=NC=C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C
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Product OPENEYE NAME: N-(4-amino-3,5-dichloro-phenyl)-3-(p-tolyl)isoxazole-5-carboxamide
CAS Name: N-(4-amino-3,5-dichlorophenyl)-3-(4-methylphenyl)-5-isoxazolecarboxamide
IUPAC NAME: N-(4-amino-3,5-dichlorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: N-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C17H13Cl2N3O2
MOLECULAR WEIGHT: 362.21002
SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC(=C(C(=C3)Cl)N)Cl
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Product OPENEYE NAME: N-(4-amino-3,5-dichloro-phenyl)-3-(2-oxo-1-pyridyl)propanamide
CAS Name: N-(4-amino-3,5-dichlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
IUPAC NAME: N-(4-amino-3,5-dichlorophenyl)-3-(2-oxopyridin-1-yl)propanamide
SYSTEMATIC NAME: N-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(2-oxidanylidenepyridin-1-yl)propanamide
MOLECULAR FORMULA: C14H13Cl2N3O2
MOLECULAR WEIGHT: 326.17792
SMILES: C1=CC(=O)N(C=C1)CCC(=O)NC2=CC(=C(C(=C2)Cl)N)Cl
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Product OPENEYE NAME: ethyl N-[(1S)-1-[(4-amino-3,5-dichloro-phenyl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2S)-1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-1-[[4-azanyl-3,5-bis(chloranyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H19Cl2N3O3
MOLECULAR WEIGHT: 348.22496
SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)NC1=CC(=C(C(=C1)Cl)N)Cl
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Product OPENEYE NAME: ethyl N-[(1R)-1-[(4-amino-3,5-dichloro-phenyl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2R)-1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[[4-azanyl-3,5-bis(chloranyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H19Cl2N3O3
MOLECULAR WEIGHT: 348.22496
SMILES: CCOC(=O)N[C@H](C(C)C)C(=O)NC1=CC(=C(C(=C1)Cl)N)Cl
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Product OPENEYE NAME: ethyl N-[3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]carbamate
CAS Name: N-[3-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C18H27N3O7S
MOLECULAR WEIGHT: 429.48788
SMILES: CCOC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: 7-[methyl-[(2-morpholinophenyl)methyl]carbamoyl]-2-thioxo-1H-quinazolin-4-olate
CAS Name: 7-[[methyl-[[2-(4-morpholinyl)phenyl]methyl]amino]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-olate
IUPAC NAME: 7-[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate
SYSTEMATIC NAME: 7-[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate
MOLECULAR FORMULA: C21H21N4O3S-
MOLECULAR WEIGHT: 409.48144
SMILES: CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CC4=C(C=C3)C(=NC(=S)N4)[O-]
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Product OPENEYE NAME: N-methyl-N-[(2-morpholinophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-methyl-N-[[2-(4-morpholinyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C21H22N4O3S
MOLECULAR WEIGHT: 410.48938
SMILES: CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4
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Product OPENEYE NAME: N'-(4-isopropoxy-3-methoxy-benzoyl)-3-(p-tolyl)isoxazole-5-carbohydrazide
CAS Name: N'-[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]-3-(4-methylphenyl)-5-isoxazolecarbohydrazide
IUPAC NAME: N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
SYSTEMATIC NAME: N'-(3-methoxy-4-propan-2-yloxy-phenyl)carbonyl-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
MOLECULAR FORMULA: C22H23N3O5
MOLECULAR WEIGHT: 409.43512
SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)OC(C)C)OC
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Product OPENEYE NAME: N-[3-(cyclohexoxy)propyl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide
CAS Name: N-(3-cyclohexyloxypropyl)-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(3-cyclohexyloxypropyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(3-cyclohexyloxypropyl)-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C21H30N4O2
MOLECULAR WEIGHT: 370.4885
SMILES: CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NCCCOC3CCCCC3
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Product OPENEYE NAME: (5S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydroisoxazole-5-carboxamide
CAS Name: (5S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydroisoxazole-5-carboxamide
IUPAC NAME: (5S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: (5S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C17H13N3O2S
MOLECULAR WEIGHT: 323.36902
SMILES: C1[C@H](ON=C1C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: (5R)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydroisoxazole-5-carboxamide
CAS Name: (5R)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydroisoxazole-5-carboxamide
IUPAC NAME: (5R)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: (5R)-N-(1,3-benzothiazol-2-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C17H13N3O2S
MOLECULAR WEIGHT: 323.36902
SMILES: C1[C@@H](ON=C1C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 7-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-thioxo-1H-quinazolin-4-olate
CAS Name: 7-[[(4-methoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-olate
IUPAC NAME: 7-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate
SYSTEMATIC NAME: 7-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate
MOLECULAR FORMULA: C17H11N4O3S2-
MOLECULAR WEIGHT: 383.42424
SMILES: COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=NC(=S)N4)[O-]
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Product OPENEYE NAME: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C17H12N4O3S2
MOLECULAR WEIGHT: 384.43218
SMILES: COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4
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Product OPENEYE NAME: ethyl N-[(1S)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2S)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-1-[(4-fluorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H19FN2O3
MOLECULAR WEIGHT: 282.310663
SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)NC1=CC=C(C=C1)F
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Product OPENEYE NAME: ethyl N-[(1R)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[(4-fluorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C14H19FN2O3
MOLECULAR WEIGHT: 282.310663
SMILES: CCOC(=O)N[C@H](C(C)C)C(=O)NC1=CC=C(C=C1)F
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Product OPENEYE NAME: ethyl N-[3-(4-fluoroanilino)-3-oxo-propyl]carbamate
CAS Name: N-[3-(4-fluoroanilino)-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-(4-fluoroanilino)-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C12H15FN2O3
MOLECULAR WEIGHT: 254.257503
SMILES: CCOC(=O)NCCC(=O)NC1=CC=C(C=C1)F
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Product OPENEYE NAME: N2,N5-bis(4-fluorophenyl)-3-methyl-thieno[2,3-b]pyridine-2,5-dicarboxamide
CAS Name: N2,N5-bis(4-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
IUPAC NAME: 2-N,5-N-bis(4-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
SYSTEMATIC NAME: N2,N5-bis(4-fluorophenyl)-3-methyl-thieno[2,3-b]pyridine-2,5-dicarboxamide
MOLECULAR FORMULA: C22H15F2N3O2S
MOLECULAR WEIGHT: 423.435206
SMILES: CC1=C(SC2=NC=C(C=C12)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: 7-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-2-thioxo-1H-quinazolin-4-olate
CAS Name: 7-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-olate
IUPAC NAME: 7-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate
SYSTEMATIC NAME: 7-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate
MOLECULAR FORMULA: C16H8F2N3O4S-
MOLECULAR WEIGHT: 376.314226
SMILES: C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC(=S)N=C2[O-]
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Product OPENEYE NAME: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C16H9F2N3O4S
MOLECULAR WEIGHT: 377.322166
SMILES: C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)NC(=S)NC2=O
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Product OPENEYE NAME: ethyl N-[(1S)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2S)-1-[(4,5-dimethyl-2-thiazolyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C13H21N3O3S
MOLECULAR WEIGHT: 299.38914
SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)NC1=NC(=C(S1)C)C
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Product OPENEYE NAME: ethyl N-[(1R)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-2-methyl-propyl]carbamate
CAS Name: N-[(2R)-1-[(4,5-dimethyl-2-thiazolyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C13H21N3O3S
MOLECULAR WEIGHT: 299.38914
SMILES: CCOC(=O)N[C@H](C(C)C)C(=O)NC1=NC(=C(S1)C)C
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Product OPENEYE NAME: ethyl N-[(1S)-2-methyl-1-[(4-methylthiazol-2-yl)carbamoyl]propyl]carbamate
CAS Name: N-[(2S)-3-methyl-1-[(4-methyl-2-thiazolyl)amino]-1-oxobutan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C12H19N3O3S
MOLECULAR WEIGHT: 285.36256
SMILES: CCOC(=O)N[C@@H](C(C)C)C(=O)NC1=NC(=CS1)C
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