Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-[3-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-oxo-chromen-7-yl]oxyethyl]-3-(3,4-difluorophenyl)propanamide
CAS Name: 3-(3,4-difluorophenyl)-N-[2-[[3-[4-[[ethyl-(phenylmethyl)amino]methyl]phenyl]-2-oxo-1-benzopyran-7-yl]oxy]ethyl]propanamide
IUPAC NAME: N-[2-[3-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-oxochromen-7-yl]oxyethyl]-3-(3,4-difluorophenyl)propanamide
SYSTEMATIC NAME: 3-[3,4-bis(fluoranyl)phenyl]-N-[2-[3-[4-[[ethyl-(phenylmethyl)amino]methyl]phenyl]-2-oxidanylidene-chromen-7-yl]oxyethyl]propanamide
MOLECULAR FORMULA: C36H34F2N2O4
MOLECULAR WEIGHT: 596.662966
SMILES: CCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=C(C=C(C=C4)OCCNC(=O)CCC5=CC(=C(C=C5)F)F)OC3=O
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Product OPENEYE NAME: (E)-N-[2-[3-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-oxo-chromen-7-yl]oxyethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CAS Name: (E)-3-(3,4-dichlorophenyl)-N-[2-[[3-[4-[[ethyl-(phenylmethyl)amino]methyl]phenyl]-2-oxo-1-benzopyran-7-yl]oxy]ethyl]-2-propenamide
IUPAC NAME: (E)-N-[2-[3-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-oxochromen-7-yl]oxyethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,4-dichlorophenyl)-N-[2-[3-[4-[[ethyl-(phenylmethyl)amino]methyl]phenyl]-2-oxidanylidene-chromen-7-yl]oxyethyl]prop-2-enamide
MOLECULAR FORMULA: C36H32Cl2N2O4
MOLECULAR WEIGHT: 627.55628
SMILES: CCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=C(C=C(C=C4)OCCNC(=O)/C=C/C5=CC(=C(C=C5)Cl)Cl)OC3=O
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Product OPENEYE NAME: 6-chloro-N-[1-[4-[4-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]benzothiophene-2-sulfonamide
CAS Name: 6-chloro-N-[1-[4-[4-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide
IUPAC NAME: 6-chloro-N-[1-[4-[4-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-[1-[4-[4-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
MOLECULAR FORMULA: C24H23ClFN5O3S2
MOLECULAR WEIGHT: 548.052523
SMILES: CN(C)CC1=CN(C=N1)C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl)F
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Product OPENEYE NAME: 6-chloro-N-[1-[4-[3-[(dimethylamino)methyl]pyrazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]benzothiophene-2-sulfonamide
CAS Name: 6-chloro-N-[1-[4-[3-[(dimethylamino)methyl]-1-pyrazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide
IUPAC NAME: 6-chloro-N-[1-[4-[3-[(dimethylamino)methyl]pyrazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-[1-[4-[3-[(dimethylamino)methyl]pyrazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
MOLECULAR FORMULA: C24H23ClFN5O3S2
MOLECULAR WEIGHT: 548.052523
SMILES: CN(C)CC1=NN(C=C1)C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl)F
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Product OPENEYE NAME: 2,3-diphenyl-5-(4-undecoxyphenyl)tetrazol-2-ium chloride
CAS Name: 2,3-diphenyl-5-(4-undecoxyphenyl)tetrazol-2-ium chloride
IUPAC NAME: 2,3-diphenyl-5-(4-undecoxyphenyl)tetrazol-2-ium chloride
SYSTEMATIC NAME: 2,3-diphenyl-5-(4-undecoxyphenyl)-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C30H37ClN4O
MOLECULAR WEIGHT: 505.09398
SMILES: CCCCCCCCCCCOC1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 2,3-diphenyl-5-(4-undecoxyphenyl)tetrazol-2-ium
CAS Name: 2,3-diphenyl-5-(4-undecoxyphenyl)tetrazol-2-ium
IUPAC NAME: 2,3-diphenyl-5-(4-undecoxyphenyl)tetrazol-2-ium
SYSTEMATIC NAME: 2,3-diphenyl-5-(4-undecoxyphenyl)-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C30H37N4O+
MOLECULAR WEIGHT: 469.64098
SMILES: CCCCCCCCCCCOC1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N'-[2-[[2-(5-aminopentylamino)-1-methyl-ethyl]disulfanyl]propyl]pentane-1,5-diamine
CAS Name: N'-[2-[1-(5-aminopentylamino)propan-2-yldisulfanyl]propyl]pentane-1,5-diamine
IUPAC NAME: N'-[2-[1-(5-aminopentylamino)propan-2-yldisulfanyl]propyl]pentane-1,5-diamine
SYSTEMATIC NAME: N'-[2-[1-(5-azanylpentylamino)propan-2-yldisulfanyl]propyl]pentane-1,5-diamine
MOLECULAR FORMULA: C16H38N4S2
MOLECULAR WEIGHT: 350.62972
SMILES: CC(CNCCCCCN)SSC(C)CNCCCCCN
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Product OPENEYE NAME: 5-hexyl-2,3-diphenyl-tetrazol-2-ium bromide
CAS Name: 5-hexyl-2,3-diphenyltetrazol-2-ium bromide
IUPAC NAME: 5-hexyl-2,3-diphenyltetrazol-2-ium bromide
SYSTEMATIC NAME: 5-hexyl-2,3-diphenyl-1,2,3,4-tetrazol-2-ium bromide
MOLECULAR FORMULA: C19H23BrN4
MOLECULAR WEIGHT: 387.31672
SMILES: CCCCCCC1=NN([N+](=N1)C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
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Product OPENEYE NAME: 5-cyclohexyl-2,3-diphenyl-tetrazol-2-ium chloride
CAS Name: 5-cyclohexyl-2,3-diphenyltetrazol-2-ium chloride
IUPAC NAME: 5-cyclohexyl-2,3-diphenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 5-cyclohexyl-2,3-diphenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C19H21ClN4
MOLECULAR WEIGHT: 340.84984
SMILES: C1CCC(CC1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 5-cyclohexyl-2,3-diphenyl-tetrazol-2-ium
CAS Name: 5-cyclohexyl-2,3-diphenyltetrazol-2-ium
IUPAC NAME: 5-cyclohexyl-2,3-diphenyltetrazol-2-ium
SYSTEMATIC NAME: 5-cyclohexyl-2,3-diphenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C19H21N4+
MOLECULAR WEIGHT: 305.39684
SMILES: C1CCC(CC1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
CAS Name: 5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
IUPAC NAME: 5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
SYSTEMATIC NAME: 5-[4-[2,4-bis(fluoranyl)phenyl]-2-tert-butyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
MOLECULAR FORMULA: C25H31F2N5O3S
MOLECULAR WEIGHT: 519.607146
SMILES: CC(C)(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C(C)(C)C)C4=C(C=C(C=C4)F)F.CS(=O)(=O)O
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Product OPENEYE NAME: 5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
CAS Name: 5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
IUPAC NAME: 5-[2-tert-butyl-4-(2,4-difluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 5-[4-[2,4-bis(fluoranyl)phenyl]-2-tert-butyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C24H27F2N5
MOLECULAR WEIGHT: 423.501486
SMILES: CC(C)(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C(C)(C)C)C4=C(C=C(C=C4)F)F
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Product OPENEYE NAME: 5-fluoro-1,4-dihydroquinazolin-2-amine
CAS Name: 5-fluoro-1,4-dihydroquinazolin-2-amine
IUPAC NAME: 5-fluoro-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: 5-fluoranyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C8H8FN3
MOLECULAR WEIGHT: 165.167623
SMILES: C1C2=C(C=CC=C2F)NC(=N1)N
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Product OPENEYE NAME: 5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
CAS Name: 5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
IUPAC NAME: 5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
SYSTEMATIC NAME: 5-[2-[2,6-bis(chloranyl)phenyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
MOLECULAR FORMULA: C27H26Cl2FN5O3S
MOLECULAR WEIGHT: 590.496443
SMILES: CC(C)(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)F.CS(=O)(=O)O
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Product OPENEYE NAME: 5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
CAS Name: 5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
IUPAC NAME: 5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 5-[2-[2,6-bis(chloranyl)phenyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C26H22Cl2FN5
MOLECULAR WEIGHT: 494.390783
SMILES: CC(C)(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 5-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isothiazole
CAS Name: 5-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]isothiazole
IUPAC NAME: 5-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
SYSTEMATIC NAME: 5-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
MOLECULAR FORMULA: C10H16N2S
MOLECULAR WEIGHT: 196.31244
SMILES: C[C@@H]1CCCN1CCC2=CC=NS2
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
CAS Name: 5-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine; methanesulfonic acid
MOLECULAR FORMULA: C27H26F3N5O3S
MOLECULAR WEIGHT: 557.58725
SMILES: CC(C)(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=C(C=C5)F.CS(=O)(=O)O
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Product OPENEYE NAME: 5-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
CAS Name: 5-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
IUPAC NAME: 5-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 5-[2-[2,6-bis(fluoranyl)phenyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C26H22F3N5
MOLECULAR WEIGHT: 461.48159
SMILES: CC(C)(C)CN1C=NC2=C1N=C(C=C2)C3=C(N=C(N3)C4=C(C=CC=C4F)F)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]isothiazole
CAS Name: 5-[2-[(2S)-2-methyl-1-pyrrolidinyl]ethyl]isothiazole
IUPAC NAME: 5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
SYSTEMATIC NAME: 5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
MOLECULAR FORMULA: C10H16N2S
MOLECULAR WEIGHT: 196.31244
SMILES: C[C@H]1CCCN1CCC2=CC=NS2
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Product OPENEYE NAME: 5-ethyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CAS Name: 5-ethyl-2-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]pyridine
IUPAC NAME: 5-ethyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
SYSTEMATIC NAME: 5-ethyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
MOLECULAR FORMULA: C14H22N2
MOLECULAR WEIGHT: 218.33788
SMILES: CCC1=CN=C(C=C1)CCN2CCC[C@H]2C
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Product OPENEYE NAME: 5-(2-pyrrolidin-1-ylethyl)isothiazole
CAS Name: 5-[2-(1-pyrrolidinyl)ethyl]isothiazole
IUPAC NAME: 5-(2-pyrrolidin-1-ylethyl)-1,2-thiazole
SYSTEMATIC NAME: 5-(2-pyrrolidin-1-ylethyl)-1,2-thiazole
MOLECULAR FORMULA: C9H14N2S
MOLECULAR WEIGHT: 182.28586
SMILES: C1CCN(C1)CCC2=CC=NS2
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Product OPENEYE NAME: (2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]-3-hydroxy-propanamide
CAS Name: (2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethyl]-3-hydroxypropanamide
IUPAC NAME: (2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-3-hydroxypropanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[2-[[4-[2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]-3-oxidanyl-propanamide
MOLECULAR FORMULA: C24H30N6O6
MOLECULAR WEIGHT: 498.5316
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNC(=O)[C@H](CO)N)NCCNC(=O)[C@H](CO)N
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