Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2,6-dichloro-4-[3-[[2-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[2-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[2-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[2-(dimethylamino)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H16Cl2N4O2
MOLECULAR WEIGHT: 391.25124
SMILES: CN(C)C1=CC=CC=C1COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2
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Product OPENEYE NAME: 2-morpholinoethyl 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-5-oxidanylidene-1-[4-(1-oxidanylpropyl)phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C26H34N2O6S
MOLECULAR WEIGHT: 502.62296
SMILES: CCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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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-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(2,4-diamino-7-imidazo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
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-3,4-diol
MOLECULAR FORMULA: C11H16N6O4
MOLECULAR WEIGHT: 296.28254
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2N=C(N=C3N)N)CO)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[4-(methylamino)-7-imidazo[2,1-f][1,2,4]triazinyl]oxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C12H17N5O4
MOLECULAR WEIGHT: 295.29448
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2N=CN=C3NC)CO)O)O
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Product OPENEYE NAME: 2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
CAS Name: 2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
IUPAC NAME: 2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
SYSTEMATIC NAME: 2-azanyl-7-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2NC(=NC3=O)N)CO)O)O
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Product OPENEYE NAME: 6-amino-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CAS Name: 6-amino-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
IUPAC NAME: 6-amino-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SYSTEMATIC NAME: 6-azanyl-3-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
MOLECULAR FORMULA: C10H14N6O5
MOLECULAR WEIGHT: 298.25536
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=NN=C3N2NC(=NC3=O)N)CO)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4,6-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4,6-diamino-7-imidazo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4,6-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-[4,6-bis(azanyl)imidazo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C11H16N6O4
MOLECULAR WEIGHT: 296.28254
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=C(N=C3N2N=CN=C3N)N)CO)O)O
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Product OPENEYE NAME: 2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-1H-imidazo[5,1-f][1,2,4]triazin-4-one
CAS Name: 2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-1H-imidazo[5,1-f][1,2,4]triazin-4-one
IUPAC NAME: 2-amino-7-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SYSTEMATIC NAME: 2-azanyl-7-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-1H-imidazo[5,1-f][1,2,4]triazin-4-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=NC=C3N2NC(=NC3=O)N)CO)O)O
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Product OPENEYE NAME: N-benzyl-3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-benzyl-3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-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-(phenylmethyl)-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C17H13Cl2N3O3
MOLECULAR WEIGHT: 378.20942
SMILES: CN(CC1=CC=CC=C1)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)NO2
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Product OPENEYE NAME: 5-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethoxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[3-(trifluoromethoxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethoxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3-(trifluoromethyloxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H10Br2F3N3O4
MOLECULAR WEIGHT: 537.08221
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Br)Br)ON2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H10Cl2F3N3O3
MOLECULAR WEIGHT: 432.18081
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethoxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[3-(trifluoromethoxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[3-(trifluoromethoxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3-(trifluoromethyloxy)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H10Cl2F3N3O4
MOLECULAR WEIGHT: 448.18021
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H10Cl2F3N3O3
MOLECULAR WEIGHT: 432.18081
SMILES: C1=CC(=CC=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2)C(F)(F)F
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Product OPENEYE NAME: N-benzyl-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-(phenylmethyl)-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-benzyl-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-(phenylmethyl)-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H13Cl2N3O3
MOLECULAR WEIGHT: 378.20942
SMILES: CN(CC1=CC=CC=C1)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-3,4,5-trifluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-3,4,5-trifluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-3,4,5-trifluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-3,4,5-tris(fluoranyl)-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C21H17F4IN4O4S
MOLECULAR WEIGHT: 624.347163
SMILES: CN(C)S(=O)(=O)NC1=CC(=CC=C1)OC2=C(C(=C(C(=C2C(=O)N)NC3=C(C=C(C=C3)I)F)F)F)F
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Product OPENEYE NAME: 2-[3-(dimethylcarbamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[3-[[dimethylamino(oxo)methyl]amino]phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-[3-(dimethylcarbamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylcarbamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C22H19F2IN4O3
MOLECULAR WEIGHT: 552.312536
SMILES: CN(C)C(=O)NC1=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: 3-[3-[2-cyano-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]phenyl]-1,1-dimethyl-urea
CAS Name: 3-[3-[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]-1,1-dimethylurea
IUPAC NAME: 3-[3-[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]-1,1-dimethylurea
SYSTEMATIC NAME: 3-[3-[2-cyano-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]phenyl]-1,1-dimethyl-urea
MOLECULAR FORMULA: C22H17F2IN4O2
MOLECULAR WEIGHT: 534.297256
SMILES: CN(C)C(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: [3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]phenyl] N,N-dimethylcarbamate
CAS Name: N,N-dimethylcarbamic acid [3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl] ester
IUPAC NAME: [3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl] N,N-dimethylcarbamate
SYSTEMATIC NAME: [3-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]phenyl] N,N-dimethylcarbamate
MOLECULAR FORMULA: C22H18F2IN3O4
MOLECULAR WEIGHT: 553.297296
SMILES: CN(C)C(=O)OC1=CC=CC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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