Wednesday, December 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S,3R,4R,5R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2,3,4-triol
CAS Name: (2S,3R,4R,5R)-2-(2,4-diamino-7-imidazo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
IUPAC NAME: (2S,3R,4R,5R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-[2,4-bis(azanyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-3-methyl-oxolane-2,3,4-triol
MOLECULAR FORMULA: C11H16N6O5
MOLECULAR WEIGHT: 312.28194
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CN=C3N2N=C(N=C3N)N)O)CO)O)O
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Product OPENEYE NAME: (2R,3R,4R,5R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-carbonitrile
CAS Name: (2R,3R,4R,5R)-2-(2,4-diamino-7-imidazo[2,1-f][1,2,4]triazinyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanecarbonitrile
IUPAC NAME: (2R,3R,4R,5R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-[2,4-bis(azanyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolane-2-carbonitrile
MOLECULAR FORMULA: C12H15N7O4
MOLECULAR WEIGHT: 321.292
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C#N)C2=CN=C3N2N=C(N=C3N)N)CO)O)O
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Product OPENEYE NAME: S-[2-[(benzylamino)-[[(2R,3R,4R,5R)-5-cyano-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethyl-propanethioate
CAS Name: 3-hydroxy-2,2-dimethylpropanethioic acid S-[2-[[(2R,3R,4R,5R)-5-cyano-5-(2,4-diamino-7-imidazo[2,1-f][1,2,4]triazinyl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-[(phenylmethyl)amino]phosphoryl]oxyethyl] ester
IUPAC NAME: S-[2-[(benzylamino)-[[(2R,3R,4R,5R)-5-cyano-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
SYSTEMATIC NAME: S-[2-[[(2R,3R,4R,5R)-5-[2,4-bis(azanyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(phenylmethyl)amino]phosphoryl]oxyethyl] 2,2-dimethyl-3-oxidanyl-propanethioate
MOLECULAR FORMULA: C26H35N8O8PS
MOLECULAR WEIGHT: 650.643661
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C#N)C2=CN=C3N2N=C(N=C3N)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2,3,4-triol
CAS Name: (2S,3R,4R,5R)-2-(2,4-diamino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
IUPAC NAME: (2S,3R,4R,5R)-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-[2,4-bis(azanyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-3-methyl-oxolane-2,3,4-triol
MOLECULAR FORMULA: C12H17N5O5
MOLECULAR WEIGHT: 311.29388
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CC=C3N2N=C(N=C3N)N)O)CO)O)O
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Product OPENEYE NAME: (2R,3R,4R,5R)-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-carbonitrile
CAS Name: (2R,3R,4R,5R)-2-(2,4-diamino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanecarbonitrile
IUPAC NAME: (2R,3R,4R,5R)-2-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-[2,4-bis(azanyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolane-2-carbonitrile
MOLECULAR FORMULA: C13H16N6O4
MOLECULAR WEIGHT: 320.30394
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C#N)C2=CC=C3N2N=C(N=C3N)N)CO)O)O
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[4-[3-(trifluoromethoxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[4-[3-(trifluoromethoxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[4-[3-(trifluoromethoxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-[3-(trifluoromethyloxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H14Cl2F3N3O5
MOLECULAR WEIGHT: 540.27557
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(4-pyrimidin-5-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-(5-pyrimidinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(4-pyrimidin-5-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(4-pyrimidin-5-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C21H15Cl2N5O3
MOLECULAR WEIGHT: 456.2815
SMILES: CN(CC1=CC=C(C=C1)C2=CN=CN=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(4-morpholinophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C21H20Cl2N4O4
MOLECULAR WEIGHT: 463.3139
SMILES: CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-(2-pyridyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-(2-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(4-pyridin-2-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(4-pyridin-2-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H16Cl2N4O3
MOLECULAR WEIGHT: 455.29344
SMILES: CN(CC1=CC=C(C=C1)C2=CC=CC=N2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[3-(3-pyridyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[3-(3-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H16Cl2N4O3
MOLECULAR WEIGHT: 455.29344
SMILES: CN(CC1=CC=CC(=C1)C2=CN=CC=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: N-[[4-(3-chloro-4-ethoxy-phenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: N-[[4-(3-chloro-4-ethoxyphenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-[[4-(3-chloro-4-ethoxyphenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(3-chloranyl-4-ethoxy-phenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C24H18Cl3N3O5
MOLECULAR WEIGHT: 534.77582
SMILES: CCOC1=C(C=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3)Cl
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Product OPENEYE NAME: 2-[3-(2,3-dihydroxypropylsulfonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[3-(2,3-dihydroxypropylsulfonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-[3-(2,3-dihydroxypropylsulfonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-[3-[2,3-bis(oxidanyl)propylsulfonylamino]phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C22H20F2IN3O6S
MOLECULAR WEIGHT: 619.376976
SMILES: C1=CC(=CC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)NS(=O)(=O)CC(CO)O
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Product OPENEYE NAME: 3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]benzoic acid
CAS Name: 3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]benzoic acid
IUPAC NAME: 3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]benzoic acid
SYSTEMATIC NAME: 3-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]benzoic acid
MOLECULAR FORMULA: C20H13F2IN2O4
MOLECULAR WEIGHT: 510.229496
SMILES: C1=CC(=CC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)C(=O)O
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-(3-methylsulfonylphenoxy)benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(3-methylsulfonylphenoxy)benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(3-methylsulfonylphenoxy)benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-(3-methylsulfonylphenoxy)benzamide
MOLECULAR FORMULA: C20H15F2IN2O4S
MOLECULAR WEIGHT: 544.310376
SMILES: CS(=O)(=O)C1=CC=CC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-(4-methylpent-3-enoxy)benzonitrile
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(4-methylpent-3-enoxy)benzonitrile
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(4-methylpent-3-enoxy)benzonitrile
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-(4-methylpent-3-enoxy)benzenecarbonitrile
MOLECULAR FORMULA: C19H17F2IN2O
MOLECULAR WEIGHT: 454.252356
SMILES: CC(=CCCOC1=C(C(=CC(=C1)F)NC2=C(C=C(C=C2)I)F)C#N)C
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