Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-[[4-(3,4-dimethoxyphenyl)-2-thienyl]methyl]imidazole
CAS Name: 1-[[4-(3,4-dimethoxyphenyl)-2-thiophenyl]methyl]imidazole
IUPAC NAME: 1-[[4-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]imidazole
SYSTEMATIC NAME: 1-[[4-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]imidazole
MOLECULAR FORMULA: C16H16N2O2S
MOLECULAR WEIGHT: 300.37544
SMILES: COC1=C(C=C(C=C1)C2=CSC(=C2)CN3C=CN=C3)OC
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Product OPENEYE NAME: 3-[4-(imidazol-1-ylmethyl)phenyl]pyridine
CAS Name: 3-[4-(1-imidazolylmethyl)phenyl]pyridine
IUPAC NAME: 3-[4-(imidazol-1-ylmethyl)phenyl]pyridine
SYSTEMATIC NAME: 3-[4-(imidazol-1-ylmethyl)phenyl]pyridine
MOLECULAR FORMULA: C15H13N3
MOLECULAR WEIGHT: 235.28382
SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)CN3C=CN=C3
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Product OPENEYE NAME: 2-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]pyridine
CAS Name: 2-fluoro-5-[4-(1-imidazolylmethyl)phenyl]pyridine
IUPAC NAME: 2-fluoro-5-[4-(imidazol-1-ylmethyl)phenyl]pyridine
SYSTEMATIC NAME: 2-fluoranyl-5-[4-(imidazol-1-ylmethyl)phenyl]pyridine
MOLECULAR FORMULA: C15H12FN3
MOLECULAR WEIGHT: 253.274283
SMILES: C1=CC(=CC=C1CN2C=CN=C2)C3=CN=C(C=C3)F
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(2-trimethylsilylethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-9-(2-trimethylsilylethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(2-trimethylsilylethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-(2-trimethylsilylethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C27H40O8Si
MOLECULAR WEIGHT: 520.6872
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCOCC[Si](C)(C)C)C)C4=COC=C4
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Product OPENEYE NAME: 1-[1-[4-(3,4-difluorophenyl)-2-thienyl]propyl]imidazole
CAS Name: 1-[1-[4-(3,4-difluorophenyl)-2-thiophenyl]propyl]imidazole
IUPAC NAME: 1-[1-[4-(3,4-difluorophenyl)thiophen-2-yl]propyl]imidazole
SYSTEMATIC NAME: 1-[1-[4-[3,4-bis(fluoranyl)phenyl]thiophen-2-yl]propyl]imidazole
MOLECULAR FORMULA: C16H14F2N2S
MOLECULAR WEIGHT: 304.357566
SMILES: CCC(C1=CC(=CS1)C2=CC(=C(C=C2)F)F)N3C=CN=C3
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(2,2,2-trifluoroethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-9-(2,2,2-trifluoroethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(2,2,2-trifluoroethoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-[2,2,2-tris(fluoranyl)ethoxymethoxy]-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C24H29F3O8
MOLECULAR WEIGHT: 502.47747
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCOCC(F)(F)F)C)C4=COC=C4
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-9-(2-methoxyethoxymethoxy)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-9-(2-methoxyethoxymethoxy)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(2-methoxyethoxymethoxy)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(2-methoxyethoxymethoxy)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C25H34O9
MOLECULAR WEIGHT: 478.53206
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OCOCCOC)C)C4=COC=C4
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Product OPENEYE NAME: 2-[(3-chlorophenoxy)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CAS Name: 2-[(3-chlorophenoxy)methyl]-1-[3-(4-methyl-1-piperazinyl)propyl]benzimidazole
IUPAC NAME: 2-[(3-chlorophenoxy)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
SYSTEMATIC NAME: 2-[(3-chloranylphenoxy)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
MOLECULAR FORMULA: C22H27ClN4O
MOLECULAR WEIGHT: 398.92898
SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3N=C2COC4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 3-[(2-methylsulfanylthiazolo[5,4-b]quinolin-9-yl)amino]phenol
CAS Name: 3-[[2-(methylthio)-9-thiazolo[5,4-b]quinolinyl]amino]phenol
IUPAC NAME: 3-[(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)amino]phenol
SYSTEMATIC NAME: 3-[(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)amino]phenol
MOLECULAR FORMULA: C17H13N3OS2
MOLECULAR WEIGHT: 339.43462
SMILES: CSC1=NC2=C(C3=CC=CC=C3N=C2S1)NC4=CC(=CC=C4)O
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Product OPENEYE NAME: 2-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]thiazolo[5,4-b]quinolin-9-amine
CAS Name: 2-(methylthio)-N-[3-(trifluoromethyl)phenyl]-9-thiazolo[5,4-b]quinolinamine
IUPAC NAME: 2-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]quinolin-9-amine
SYSTEMATIC NAME: 2-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]quinolin-9-amine
MOLECULAR FORMULA: C18H12F3N3S2
MOLECULAR WEIGHT: 391.43319
SMILES: CSC1=NC2=C(C3=CC=CC=C3N=C2S1)NC4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: 2-methylsulfanyl-N-(3-nitrophenyl)thiazolo[5,4-b]quinolin-9-amine
CAS Name: 2-(methylthio)-N-(3-nitrophenyl)-9-thiazolo[5,4-b]quinolinamine
IUPAC NAME: 2-methylsulfanyl-N-(3-nitrophenyl)-[1,3]thiazolo[5,4-b]quinolin-9-amine
SYSTEMATIC NAME: 2-methylsulfanyl-N-(3-nitrophenyl)-[1,3]thiazolo[5,4-b]quinolin-9-amine
MOLECULAR FORMULA: C17H12N4O2S2
MOLECULAR WEIGHT: 368.43278
SMILES: CSC1=NC2=C(C3=CC=CC=C3N=C2S1)NC4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: (2R)-2-[(2R,5R)-5-indan-2-yl-2-isobutyl-3,6-dioxo-piperazin-1-yl]-N,N-dimethyl-2-(2-methylthiazol-4-yl)acetamide
CAS Name: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-N,N-dimethyl-2-(2-methyl-4-thiazolyl)acetamide
IUPAC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SYSTEMATIC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]-N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamide
MOLECULAR FORMULA: C25H32N4O3S
MOLECULAR WEIGHT: 468.61158
SMILES: CC1=NC(=CS1)[C@H](C(=O)N(C)C)N2[C@@H](C(=O)N[C@@H](C2=O)C3CC4=CC=CC=C4C3)CC(C)C
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Product OPENEYE NAME: 4-methyl-N-(2,2,2-trifluoroethyl)-1,4-dihydroquinazolin-2-amine
CAS Name: 4-methyl-N-(2,2,2-trifluoroethyl)-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 4-methyl-N-(2,2,2-trifluoroethyl)-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 4-methyl-N-[2,2,2-tris(fluoranyl)ethyl]-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C11H12F3N3
MOLECULAR WEIGHT: 243.22829
SMILES: CC1C2=CC=CC=C2NC(=N1)NCC(F)(F)F
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Product OPENEYE NAME: N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
CAS Name: N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: N-(2,2-difluoroethyl)-4-methyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: N-[2,2-bis(fluoranyl)ethyl]-4-methyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C11H13F2N3
MOLECULAR WEIGHT: 225.237826
SMILES: CC1C2=CC=CC=C2NC(=N1)NCC(F)F
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Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[1-[2-fluoro-4-[2-[[isopropyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[1-[2-fluoro-4-[2-[[methyl(propan-2-yl)amino]methyl]-1-imidazolyl]phenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-[2-[[methyl(propan-2-yl)amino]methyl]imidazol-1-yl]phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[1-[2-fluoranyl-4-[2-[[methyl(propan-2-yl)amino]methyl]imidazol-1-yl]phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide
MOLECULAR FORMULA: C24H27ClFN5O3S2
MOLECULAR WEIGHT: 552.084283
SMILES: CC(C)N(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)/C=C/C4=CC=C(S4)Cl)F
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Product OPENEYE NAME: (E)-2-(5-chloro-2-thienyl)-N-[1-[4-[2-[[ethyl(methyl)amino]methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethenesulfonamide
CAS Name: (E)-2-(5-chloro-2-thiophenyl)-N-[1-[4-[2-[[ethyl(methyl)amino]methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]ethenesulfonamide
IUPAC NAME: (E)-2-(5-chlorothiophen-2-yl)-N-[1-[4-[2-[[ethyl(methyl)amino]methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SYSTEMATIC NAME: (E)-2-(5-chloranylthiophen-2-yl)-N-[1-[4-[2-[[ethyl(methyl)amino]methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]ethenesulfonamide
MOLECULAR FORMULA: C23H25ClFN5O3S2
MOLECULAR WEIGHT: 538.057703
SMILES: CCN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)/C=C/C4=CC=C(S4)Cl)F
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Product OPENEYE NAME: 2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3,6-dihydroxy-5-methyl-3-propyl-pyridin-4-one
CAS Name: 2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3,6-dihydroxy-5-methyl-3-propyl-4-pyridinone
IUPAC NAME: 2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-3,6-dihydroxy-5-methyl-3-propylpyridin-4-one
SYSTEMATIC NAME: 2-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-5-methyl-3,6-bis(oxidanyl)-3-propyl-pyridin-4-one
MOLECULAR FORMULA: C19H29NO3
MOLECULAR WEIGHT: 319.43846
SMILES: CCCC1(C(=NC(=C(C1=O)C)O)C/C=C(\C)/C/C=C/C(C)C)O
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(4-methoxyphenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride
IUPAC NAME: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C27H23ClN4O2
MOLECULAR WEIGHT: 470.95012
SMILES: COC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(4-methoxyphenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium
IUPAC NAME: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C27H23N4O2+
MOLECULAR WEIGHT: 435.49712
SMILES: COC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
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Product OPENEYE NAME: 2-(2-pyrrolidin-1-ylethyl)phenol
CAS Name: 2-[2-(1-pyrrolidinyl)ethyl]phenol
IUPAC NAME: 2-(2-pyrrolidin-1-ylethyl)phenol
SYSTEMATIC NAME: 2-(2-pyrrolidin-1-ylethyl)phenol
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: C1CCN(C1)CCC2=CC=CC=C2O
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