Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (4S)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C17H16Cl2N4O
MOLECULAR WEIGHT: 363.24114
SMILES: CC(C)(C)C1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 2-[(4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CAS Name: 2-[(4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[(4R)-6-azanyl-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C17H15ClN4O3
MOLECULAR WEIGHT: 358.779
SMILES: CCOC(=O)CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 2-[(4S)-6-amino-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CAS Name: 2-[(4S)-6-amino-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4S)-6-amino-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[(4S)-6-azanyl-4-(4-chlorophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
MOLECULAR FORMULA: C17H15ClN4O3
MOLECULAR WEIGHT: 358.779
SMILES: CCOC(=O)CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-[(4R)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetamide
CAS Name: 2-[4-[(4R)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetamide
IUPAC NAME: 2-[4-[(4R)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4R)-6-azanyl-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]ethanamide
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CCCC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OCC(=O)N
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Product OPENEYE NAME: 2-[4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetamide
CAS Name: 2-[4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetamide
IUPAC NAME: 2-[4-[(4S)-6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4S)-6-azanyl-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenoxy]ethanamide
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CCCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OCC(=O)N
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Product OPENEYE NAME: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]phenoxy]acetamide
CAS Name: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]phenoxy]acetamide
IUPAC NAME: 2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]phenoxy]ethanamide
MOLECULAR FORMULA: C20H21N3O4
MOLECULAR WEIGHT: 367.39844
SMILES: CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC(=O)N)C(=O)C1)C
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Product OPENEYE NAME: methyl (4R)-2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4R)-2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-azanyl-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H23NO6
MOLECULAR WEIGHT: 385.41042
SMILES: CC1(CC2=C([C@H](C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C
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Product OPENEYE NAME: methyl (4S)-2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4S)-2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-amino-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-azanyl-4-(4-methoxycarbonylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H23NO6
MOLECULAR WEIGHT: 385.41042
SMILES: CC1(CC2=C([C@@H](C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C
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Product OPENEYE NAME: 2-[4-[(4R)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]acetamide
CAS Name: 2-[4-[(4R)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
IUPAC NAME: 2-[4-[(4R)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4R)-6-azanyl-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C20H23N5O4
MOLECULAR WEIGHT: 397.42772
SMILES: CC(C)(C)C1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC(=O)N)OC
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Product OPENEYE NAME: 2-[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]acetamide
CAS Name: 2-[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
IUPAC NAME: 2-[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4S)-6-azanyl-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C20H23N5O4
MOLECULAR WEIGHT: 397.42772
SMILES: CC(C)(C)C1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC(=O)N)OC
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Product OPENEYE NAME: [4-amino-2-(ethylamino)thiazol-5-yl]-(p-tolyl)methanone
CAS Name: [4-amino-2-(ethylamino)-5-thiazolyl]-(4-methylphenyl)methanone
IUPAC NAME: [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone
SYSTEMATIC NAME: [4-azanyl-2-(ethylamino)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CCNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)C)N
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Product OPENEYE NAME: ethyl (4R)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4R)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H21F2NO4
MOLECULAR WEIGHT: 377.381846
SMILES: CCOC(=O)C1=C(OC2=C([C@H]1C3=C(C=C(C=C3)F)F)C(=O)CC(C2)(C)C)N
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Product OPENEYE NAME: 5-[(4S)-2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile
CAS Name: 5-[(4S)-2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-2-thiophenecarbonitrile
IUPAC NAME: 5-[(4S)-2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile
SYSTEMATIC NAME: 5-[(4S)-2-azanyl-7,7-dimethyl-3-nitro-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile
MOLECULAR FORMULA: C16H15N3O4S
MOLECULAR WEIGHT: 345.373
SMILES: CC1(CC2=C([C@@H](C(=C(O2)N)[N+](=O)[O-])C3=CC=C(S3)C#N)C(=O)C1)C
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Product OPENEYE NAME: (4R)-6-amino-4-(2,4-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-(2,4-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-(2,4-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-[2,4-bis(fluoranyl)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C15H12F2N4O2
MOLECULAR WEIGHT: 318.278186
SMILES: COCC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: (4S)-6-amino-4-(2,4-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-(2,4-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-(2,4-difluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-[2,4-bis(fluoranyl)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C15H12F2N4O2
MOLECULAR WEIGHT: 318.278186
SMILES: COCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: 5-acetyl-4-amino-2-anilino-thiophene-3-carbonitrile
CAS Name: 5-acetyl-4-amino-2-anilino-3-thiophenecarbonitrile
IUPAC NAME: 5-acetyl-4-amino-2-anilinothiophene-3-carbonitrile
SYSTEMATIC NAME: 4-azanyl-5-ethanoyl-2-phenylazanyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)C#N)N
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Product OPENEYE NAME: (3S)-2'-amino-1-benzyl-7'-methyl-2,5'-dioxo-spiro[indoline-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CAS Name: (3S)-2'-amino-7'-methyl-2,5'-dioxo-1-(phenylmethyl)-3'-spiro[indole-3,4'-pyrano[4,3-b]pyran]carbonitrile
IUPAC NAME: (3S)-2'-amino-1-benzyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SYSTEMATIC NAME: (3S)-2'-azanyl-7'-methyl-2,5'-bis(oxidanylidene)-1-(phenylmethyl)spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
MOLECULAR FORMULA: C24H17N3O4
MOLECULAR WEIGHT: 411.40948
SMILES: CC1=CC2=C(C(=O)O1)[C@]3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=C(O2)N)C#N
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Product OPENEYE NAME: (3R)-2'-amino-1-benzyl-7'-methyl-2,5'-dioxo-spiro[indoline-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CAS Name: (3R)-2'-amino-7'-methyl-2,5'-dioxo-1-(phenylmethyl)-3'-spiro[indole-3,4'-pyrano[4,3-b]pyran]carbonitrile
IUPAC NAME: (3R)-2'-amino-1-benzyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SYSTEMATIC NAME: (3R)-2'-azanyl-7'-methyl-2,5'-bis(oxidanylidene)-1-(phenylmethyl)spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
MOLECULAR FORMULA: C24H17N3O4
MOLECULAR WEIGHT: 411.40948
SMILES: CC1=CC2=C(C(=O)O1)[C@@]3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=C(O2)N)C#N
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