Tuesday, November 1, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-benzyl-1-[[3-(4-chlorophenyl)-6-methyl-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
CAS Name: 1-[[3-(4-chlorophenyl)-6-methyl-2-benzofuranyl]methyl]-1-(phenylmethyl)-3-(2,4,6-trifluorophenyl)urea
IUPAC NAME: 1-benzyl-1-[[3-(4-chlorophenyl)-6-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
SYSTEMATIC NAME: 1-[[3-(4-chlorophenyl)-6-methyl-1-benzofuran-2-yl]methyl]-1-(phenylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea
MOLECULAR FORMULA: C30H22ClF3N2O2
MOLECULAR WEIGHT: 534.95609
SMILES: CC1=CC2=C(C=C1)C(=C(O2)CN(CC3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4F)F)F)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 5-chloro-N-(2-furylmethyl)-3-(p-tolyl)benzofuran-2-carboxamide
CAS Name: 5-chloro-N-(2-furanylmethyl)-3-(4-methylphenyl)-2-benzofurancarboxamide
IUPAC NAME: 5-chloro-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C21H16ClNO3
MOLECULAR WEIGHT: 365.80964
SMILES: CC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CO4
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Product OPENEYE NAME: N-benzyl-5-methyl-3-(p-tolyl)benzofuran-2-carboxamide
CAS Name: 5-methyl-3-(4-methylphenyl)-N-(phenylmethyl)-2-benzofurancarboxamide
IUPAC NAME: N-benzyl-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: 5-methyl-3-(4-methylphenyl)-N-(phenylmethyl)-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C24H21NO2
MOLECULAR WEIGHT: 355.42904
SMILES: CC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)C)C(=O)NCC4=CC=CC=C4
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Product OPENEYE NAME: tert-butyl-(1H-imidazol-2-ylmethoxy)-dimethyl-silane
CAS Name: tert-butyl-(1H-imidazol-2-ylmethoxy)-dimethylsilane
IUPAC NAME: tert-butyl-(1H-imidazol-2-ylmethoxy)-dimethylsilane
SYSTEMATIC NAME: tert-butyl-(1H-imidazol-2-ylmethoxy)-dimethyl-silane
MOLECULAR FORMULA: C10H20N2OSi
MOLECULAR WEIGHT: 212.3641
SMILES: CC(C)(C)[Si](C)(C)OCC1=NC=CN1
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Product OPENEYE NAME: [2-butyl-5-chloro-3-(2H-tetrazol-5-yl)-1-[[4-(3-thienyl)phenyl]methyl]-2H-imidazol-4-yl]methanol
CAS Name: [2-butyl-5-chloro-3-(2H-tetrazol-5-yl)-1-[[4-(3-thiophenyl)phenyl]methyl]-2H-imidazol-4-yl]methanol
IUPAC NAME: [2-butyl-5-chloro-3-(2H-tetrazol-5-yl)-1-[(4-thiophen-3-ylphenyl)methyl]-2H-imidazol-4-yl]methanol
SYSTEMATIC NAME: [2-butyl-5-chloranyl-3-(2H-1,2,3,4-tetrazol-5-yl)-1-[(4-thiophen-3-ylphenyl)methyl]-2H-imidazol-4-yl]methanol
MOLECULAR FORMULA: C20H23ClN6OS
MOLECULAR WEIGHT: 430.95422
SMILES: CCCCC1N(C(=C(N1C2=NNN=N2)CO)Cl)CC3=CC=C(C=C3)C4=CSC=C4
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Product OPENEYE NAME: N-[2-methyl-5-phenyl-1-(2-thienyl)imidazol-1-ium-1-yl]-1-oxo-1-phenyl-methanesulfonamide
CAS Name: N-(2-methyl-5-phenyl-1-thiophen-2-yl-1-imidazol-1-iumyl)-1-oxo-1-phenylmethanesulfonamide
IUPAC NAME: N-(2-methyl-5-phenyl-1-thiophen-2-ylimidazol-1-ium-1-yl)-1-oxo-1-phenylmethanesulfonamide
SYSTEMATIC NAME: N-(2-methyl-5-phenyl-1-thiophen-2-yl-imidazol-1-ium-1-yl)-1-oxidanylidene-1-phenyl-methanesulfonamide
MOLECULAR FORMULA: C21H18N3O3S2+
MOLECULAR WEIGHT: 424.51592
SMILES: CC1=NC=C([N+]1(C2=CC=CS2)NS(=O)(=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-[2-[tert-butyl(sulfinato)amino]-3-thienyl]-2-methyl-1-phenyl-imidazole
CAS Name: 5-[2-[tert-butyl(sulfinato)amino]-3-thiophenyl]-2-methyl-1-phenylimidazole
IUPAC NAME: 5-[2-[tert-butyl(sulfinato)amino]thiophen-3-yl]-2-methyl-1-phenylimidazole
SYSTEMATIC NAME: 5-[2-[tert-butyl(sulfinato)amino]thiophen-3-yl]-2-methyl-1-phenyl-imidazole
MOLECULAR FORMULA: C18H20N3O2S2-
MOLECULAR WEIGHT: 374.5003
SMILES: CC1=NC=C(N1C2=CC=CC=C2)C3=C(SC=C3)N(C(C)(C)C)S(=O)[O-]
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Product OPENEYE NAME: 5-[2-[tert-butyl(sulfino)amino]-3-thienyl]-2-methyl-1-phenyl-imidazole
CAS Name: 5-[2-[tert-butyl(sulfino)amino]-3-thiophenyl]-2-methyl-1-phenylimidazole
IUPAC NAME: 5-[2-[tert-butyl(sulfino)amino]thiophen-3-yl]-2-methyl-1-phenylimidazole
SYSTEMATIC NAME: 5-[2-[tert-butyl(sulfino)amino]thiophen-3-yl]-2-methyl-1-phenyl-imidazole
MOLECULAR FORMULA: C18H21N3O2S2
MOLECULAR WEIGHT: 375.50824
SMILES: CC1=NC=C(N1C2=CC=CC=C2)C3=C(SC=C3)N(C(C)(C)C)S(=O)O
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Product OPENEYE NAME: 5-[2-[tert-butyl(sulfinato)amino]-5-trimethylsilyl-3-thienyl]-2-methyl-1-phenyl-imidazole
CAS Name: 5-[2-[tert-butyl(sulfinato)amino]-5-trimethylsilyl-3-thiophenyl]-2-methyl-1-phenylimidazole
IUPAC NAME: 5-[2-[tert-butyl(sulfinato)amino]-5-trimethylsilylthiophen-3-yl]-2-methyl-1-phenylimidazole
SYSTEMATIC NAME: 5-[2-[tert-butyl(sulfinato)amino]-5-trimethylsilyl-thiophen-3-yl]-2-methyl-1-phenyl-imidazole
MOLECULAR FORMULA: C21H28N3O2S2Si-
MOLECULAR WEIGHT: 446.68142
SMILES: CC1=NC=C(N1C2=CC=CC=C2)C3=C(SC(=C3)[Si](C)(C)C)N(C(C)(C)C)S(=O)[O-]
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Product OPENEYE NAME: 5-[2-[tert-butyl(sulfino)amino]-5-trimethylsilyl-3-thienyl]-2-methyl-1-phenyl-imidazole
CAS Name: 5-[2-[tert-butyl(sulfino)amino]-5-trimethylsilyl-3-thiophenyl]-2-methyl-1-phenylimidazole
IUPAC NAME: 5-[2-[tert-butyl(sulfino)amino]-5-trimethylsilylthiophen-3-yl]-2-methyl-1-phenylimidazole
SYSTEMATIC NAME: 5-[2-[tert-butyl(sulfino)amino]-5-trimethylsilyl-thiophen-3-yl]-2-methyl-1-phenyl-imidazole
MOLECULAR FORMULA: C21H29N3O2S2Si
MOLECULAR WEIGHT: 447.68936
SMILES: CC1=NC=C(N1C2=CC=CC=C2)C3=C(SC(=C3)[Si](C)(C)C)N(C(C)(C)C)S(=O)O
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Product OPENEYE NAME: 5-[2-[tert-butyl(sulfinato)amino]benzothiophen-3-yl]-2-methyl-1-phenyl-imidazole
CAS Name: 5-[2-[tert-butyl(sulfinato)amino]-1-benzothiophen-3-yl]-2-methyl-1-phenylimidazole
IUPAC NAME: 5-[2-[tert-butyl(sulfinato)amino]-1-benzothiophen-3-yl]-2-methyl-1-phenylimidazole
SYSTEMATIC NAME: 5-[2-[tert-butyl(sulfinato)amino]-1-benzothiophen-3-yl]-2-methyl-1-phenyl-imidazole
MOLECULAR FORMULA: C22H22N3O2S2-
MOLECULAR WEIGHT: 424.55898
SMILES: CC1=NC=C(N1C2=CC=CC=C2)C3=C(SC4=CC=CC=C43)N(C(C)(C)C)S(=O)[O-]
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Product OPENEYE NAME: 5-[2-[tert-butyl(sulfino)amino]benzothiophen-3-yl]-2-methyl-1-phenyl-imidazole
CAS Name: 5-[2-[tert-butyl(sulfino)amino]-1-benzothiophen-3-yl]-2-methyl-1-phenylimidazole
IUPAC NAME: 5-[2-[tert-butyl(sulfino)amino]-1-benzothiophen-3-yl]-2-methyl-1-phenylimidazole
SYSTEMATIC NAME: 5-[2-[tert-butyl(sulfino)amino]-1-benzothiophen-3-yl]-2-methyl-1-phenyl-imidazole
MOLECULAR FORMULA: C22H23N3O2S2
MOLECULAR WEIGHT: 425.56692
SMILES: CC1=NC=C(N1C2=CC=CC=C2)C3=C(SC4=CC=CC=C43)N(C(C)(C)C)S(=O)O
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Product OPENEYE NAME: 2-butyl-6-methyl-3-[[4-(2-pyridyl)phenyl]methyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one
CAS Name: 2-butyl-6-methyl-3-[[4-(2-pyridinyl)phenyl]methyl]-3-(2H-tetrazol-5-yl)-4-quinazolin-3-iumone
IUPAC NAME: 2-butyl-6-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one
SYSTEMATIC NAME: 2-butyl-6-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-3-ium-4-one
MOLECULAR FORMULA: C26H26N7O+
MOLECULAR WEIGHT: 452.53094
SMILES: CCCCC1=NC2=C(C=C(C=C2)C)C(=O)[N+]1(CC3=CC=C(C=C3)C4=CC=CC=N4)C5=NNN=N5
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Product OPENEYE NAME: 2-butyl-6-methyl-3-[[4-(4-pyridyl)phenyl]methyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one
CAS Name: 2-butyl-6-methyl-3-[(4-pyridin-4-ylphenyl)methyl]-3-(2H-tetrazol-5-yl)-4-quinazolin-3-iumone
IUPAC NAME: 2-butyl-6-methyl-3-[(4-pyridin-4-ylphenyl)methyl]-3-(2H-tetrazol-5-yl)quinazolin-3-ium-4-one
SYSTEMATIC NAME: 2-butyl-6-methyl-3-[(4-pyridin-4-ylphenyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-3-ium-4-one
MOLECULAR FORMULA: C26H26N7O+
MOLECULAR WEIGHT: 452.53094
SMILES: CCCCC1=NC2=C(C=C(C=C2)C)C(=O)[N+]1(CC3=CC=C(C=C3)C4=CC=NC=C4)C5=NNN=N5
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Product OPENEYE NAME: 4-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-3-carbonitrile
CAS Name: 4-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]-3-pyridinecarbonitrile
IUPAC NAME: 4-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-3-carbonitrile
SYSTEMATIC NAME: 4-[4-(2-butyl-1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)phenyl]pyridine-3-carbonitrile
MOLECULAR FORMULA: C26H26N4O
MOLECULAR WEIGHT: 410.51084
SMILES: CCCCC1N(C2=C(C=C(C=C2)C)C(=O)N1C3=CC=C(C=C3)C4=C(C=NC=C4)C#N)C
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Product OPENEYE NAME: 3-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile
CAS Name: 3-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]-2-pyridinecarbonitrile
IUPAC NAME: 3-[4-(2-butyl-1,6-dimethyl-4-oxo-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile
SYSTEMATIC NAME: 3-[4-(2-butyl-1,6-dimethyl-4-oxidanylidene-2H-quinazolin-3-yl)phenyl]pyridine-2-carbonitrile
MOLECULAR FORMULA: C26H26N4O
MOLECULAR WEIGHT: 410.51084
SMILES: CCCCC1N(C2=C(C=C(C=C2)C)C(=O)N1C3=CC=C(C=C3)C4=C(N=CC=C4)C#N)C
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Product OPENEYE NAME: 4-[(4-aminophenoxy)-phenyl-methoxy]aniline
CAS Name: 4-[(4-aminophenoxy)-phenylmethoxy]aniline
IUPAC NAME: 4-[(4-aminophenoxy)-phenylmethoxy]aniline
SYSTEMATIC NAME: 4-[(4-azanylphenoxy)-phenyl-methoxy]aniline
MOLECULAR FORMULA: C19H18N2O2
MOLECULAR WEIGHT: 306.35842
SMILES: C1=CC=C(C=C1)C(OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N
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Product OPENEYE NAME: butane-2,3-diamine
CAS Name: butane-2,3-diamine
IUPAC NAME: butane-2,3-diamine
SYSTEMATIC NAME: butane-2,3-diamine
MOLECULAR FORMULA: C8H24N4
MOLECULAR WEIGHT: 176.30296
SMILES: CC(C(C)N)N.CC(C(C)N)N
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Product OPENEYE NAME: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonyl-urea
CAS Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea
IUPAC NAME: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea
SYSTEMATIC NAME: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonyl-urea
MOLECULAR FORMULA: C15H19N5O7S
MOLECULAR WEIGHT: 413.40566
SMILES: COCCOC1=CC=CC=C1S(=O)(=O)N(C2=NC(=NC(=N2)OC)OC)C(=O)N
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Product OPENEYE NAME: N-(2,6-dichloro-3-methyl-phenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CAS Name: N-(2,6-dichloro-3-methylphenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
IUPAC NAME: N-(2,6-dichloro-3-methylphenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SYSTEMATIC NAME: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-ethoxy-7-fluoranyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
MOLECULAR FORMULA: C14H12Cl2FN5O3S
MOLECULAR WEIGHT: 420.246183
SMILES: CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC(=C3Cl)C)Cl)F
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Product OPENEYE NAME: 2-[(7-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluoro-benzoic acid
CAS Name: 2-[(7-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid
IUPAC NAME: 2-[(7-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid
SYSTEMATIC NAME: 2-[(7-chloranyl-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluoranyl-benzoic acid
MOLECULAR FORMULA: C13H9ClFN5O5S
MOLECULAR WEIGHT: 401.757463
SMILES: COC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)C(=O)O)Cl
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Product OPENEYE NAME: 3-fluoro-2-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
CAS Name: 3-fluoro-2-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
IUPAC NAME: 3-fluoro-2-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
SYSTEMATIC NAME: 3-fluoranyl-2-[(8-fluoranyl-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
MOLECULAR FORMULA: C13H9F2N5O5S
MOLECULAR WEIGHT: 385.302866
SMILES: COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)C(=O)O)F
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Product OPENEYE NAME: dimethylsilylidenezirconium; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride
CAS Name: dimethylsilylidenezirconium; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride
IUPAC NAME: dimethylsilylidenezirconium; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride
SYSTEMATIC NAME: dimethylsilylidenezirconium; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride
MOLECULAR FORMULA: C11H17Cl2SiZr-3
MOLECULAR WEIGHT: 339.46818
SMILES: C[Si](=[Zr])C.C1CCC2=C(C1)[CH-]C=C2.[Cl-].[Cl-]
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