Monday, January 2, 2012

All Chemical Compounds Information



Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[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-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-oxolane-2,3,4-triol
MOLECULAR FORMULA: C12H16N4O5
MOLECULAR WEIGHT: 296.27924
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CC=C3N2N=CN=C3N)O)CO)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methoxy-3-methyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methoxy-3-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methoxy-3-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C13H18N4O5
MOLECULAR WEIGHT: 310.30582
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CC=C3N2N=CN=C3N)OC)CO)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2,3-dimethyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2,3-dimethyl-oxolane-3,4-diol
MOLECULAR FORMULA: C13H18N4O4
MOLECULAR WEIGHT: 294.30642
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C)C2=CC=C3N2N=CN=C3N)CO)O)O
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Product OPENEYE NAME: (2R,3R,4R,5R)-2-(4-aminopyrrolo[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-(4-amino-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-(4-aminopyrrolo[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-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolane-2-carbonitrile
MOLECULAR FORMULA: C13H15N5O4
MOLECULAR WEIGHT: 305.2893
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C#N)C2=CC=C3N2N=CN=C3N)CO)O)O
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Product OPENEYE NAME: [[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
CAS Name: [[(2R,3R,4R,5R)-5-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-cyano-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
IUPAC NAME: [[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3R,4R,5R)-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C13H18N5O13P3
MOLECULAR WEIGHT: 545.229003
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C#N)C2=CC=C3N2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-2-azido-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C12H15N7O4
MOLECULAR WEIGHT: 321.292
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CC=C3N2N=CN=C3N)N=[N+]=[N-])CO)O)O
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Product OPENEYE NAME: 2,6-dibromo-4-[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[5-(4-phenylpiperazin-1-yl)carbonyl-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H16Br2N4O3
MOLECULAR WEIGHT: 508.16334
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 4-[5-(4-benzylpiperidine-1-carbonyl)-1,2,4-oxadiazol-3-ylidene]-2,6-dibromo-cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 4-[5-(4-benzylpiperidine-1-carbonyl)-1,2,4-oxadiazol-3-ylidene]-2,6-dibromocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C21H19Br2N3O3
MOLECULAR WEIGHT: 521.20186
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 2,6-dibromo-4-[5-[4-(4-chloro-2-fluoro-phenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[[4-(4-chloro-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[5-[4-(4-chloro-2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[5-[4-(4-chloranyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H14Br2ClFN4O3
MOLECULAR WEIGHT: 560.598863
SMILES: C1CN(CCN1C2=C(C=C(C=C2)Cl)F)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 2,6-dibromo-4-[5-[4-(4-tert-butylphenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[[4-(4-tert-butylphenyl)-1-piperazinyl]-oxomethyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[5-[4-(4-tert-butylphenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[5-[4-(4-tert-butylphenyl)piperazin-1-yl]carbonyl-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C23H24Br2N4O3
MOLECULAR WEIGHT: 564.26966
SMILES: CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 2,6-dibromo-4-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[5-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H18Br2N4O4
MOLECULAR WEIGHT: 538.18932
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 2,6-dibromo-4-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[[4-(2,4-difluorophenyl)-1-piperazinyl]-oxomethyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[5-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]carbonyl-1,2,4-oxadiazol-3-ylidene]-2,6-bis(bromanyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H14Br2F2N4O3
MOLECULAR WEIGHT: 544.144266
SMILES: C1CN(CCN1C2=C(C=C(C=C2)F)F)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-[3-(pyrrolidin-1-ylsulfonylamino)phenoxy]benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(1-pyrrolidinylsulfonylamino)phenoxy]benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(pyrrolidin-1-ylsulfonylamino)phenoxy]benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-[3-(pyrrolidin-1-ylsulfonylamino)phenoxy]benzamide
MOLECULAR FORMULA: C23H21F2IN4O4S
MOLECULAR WEIGHT: 614.403516
SMILES: C1CCN(C1)S(=O)(=O)NC2=CC(=CC=C2)OC3=C(C(=CC(=C3)F)NC4=C(C=C(C=C4)I)F)C(=O)N
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Product OPENEYE NAME: 2-[3-(cyclobutylsulfonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[3-(cyclobutylsulfonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-[3-(cyclobutylsulfonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-[3-(cyclobutylsulfonylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C23H20F2IN3O4S
MOLECULAR WEIGHT: 599.388876
SMILES: C1CC(C1)S(=O)(=O)NC2=CC(=CC=C2)OC3=C(C(=CC(=C3)F)NC4=C(C=C(C=C4)I)F)C(=O)N
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-[3-(1H-1,2,4-triazol-5-ylsulfonylamino)phenoxy]benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(1H-1,2,4-triazol-5-ylsulfonylamino)phenoxy]benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(1H-1,2,4-triazol-5-ylsulfonylamino)phenoxy]benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-[3-(1H-1,2,4-triazol-5-ylsulfonylamino)phenoxy]benzamide
MOLECULAR FORMULA: C21H15F2IN6O4S
MOLECULAR WEIGHT: 612.347876
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)C4=NC=NN4
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