Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H19BrN2O5S
MOLECULAR WEIGHT: 551.40846
SMILES: CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(O5)C6=CC=C(C=C6)Br)SC4=N2)C(=O)OC
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Product OPENEYE NAME: 1-(3-chlorophenyl)-3-[[2-(p-tolyl)cyclopropanecarbonyl]amino]thiourea
CAS Name: 1-(3-chlorophenyl)-3-[[[2-(4-methylphenyl)cyclopropyl]-oxomethyl]amino]thiourea
IUPAC NAME: 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)cyclopropyl]carbonylamino]thiourea
MOLECULAR FORMULA: C18H18ClN3OS
MOLECULAR WEIGHT: 359.87302
SMILES: CC1=CC=C(C=C1)C2CC2C(=O)NNC(=S)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 1-methyl-N-(2-methyl-4-oxo-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-pyrazole-3-carboxamide
CAS Name: 1-methyl-N-(2-methyl-4-oxo-6-propyl-3-thieno[2,3-d]pyrimidinyl)-4-nitro-3-pyrazolecarboxamide
IUPAC NAME: 1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-4-nitropyrazole-3-carboxamide
SYSTEMATIC NAME: 1-methyl-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-pyrazole-3-carboxamide
MOLECULAR FORMULA: C15H16N6O4S
MOLECULAR WEIGHT: 376.39034
SMILES: CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=NN(C=C3[N+](=O)[O-])C)C
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Product OPENEYE NAME: ethyl 5-[(2-chlorophenyl)methylcarbamoyl]-2-methyl-pyrazole-3-carboxylate
CAS Name: 5-[[(2-chlorophenyl)methylamino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[(2-chlorophenyl)methylcarbamoyl]-2-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C15H16ClN3O3
MOLECULAR WEIGHT: 321.75884
SMILES: CCOC(=O)C1=CC(=NN1C)C(=O)NCC2=CC=CC=C2Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H20Cl2N2O5S
MOLECULAR WEIGHT: 555.4291
SMILES: CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=C(O5)COC6=C(C(=CC=C6)Cl)Cl)S4)C
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Product OPENEYE NAME: 2-(3,4-dichlorophenoxy)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CAS Name: 2-(3,4-dichlorophenoxy)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]acetamide
IUPAC NAME: 2-(3,4-dichlorophenoxy)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
SYSTEMATIC NAME: 2-[3,4-bis(chloranyl)phenoxy]-N-[3,5-dimethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]pyrazol-4-yl]ethanamide
MOLECULAR FORMULA: C20H14Cl2F5N3O2
MOLECULAR WEIGHT: 494.242076
SMILES: CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)COC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 2-(3-bromophenyl)-4-[(3,5-dibromo-2-methoxy-phenyl)methylene]oxazol-5-one
CAS Name: 2-(3-bromophenyl)-4-[(3,5-dibromo-2-methoxyphenyl)methylidene]-5-oxazolone
IUPAC NAME: 2-(3-bromophenyl)-4-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methylidene]-2-(3-bromophenyl)-1,3-oxazol-5-one
MOLECULAR FORMULA: C17H10Br3NO3
MOLECULAR WEIGHT: 515.9782
SMILES: COC1=C(C=C(C=C1C=C2C(=O)OC(=N2)C3=CC(=CC=C3)Br)Br)Br
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Product OPENEYE NAME: 1-[4-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-1,2,4-triazol-5-yl]ethanone
CAS Name: 1-[4-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-1,2,4-triazol-5-yl]ethanone
IUPAC NAME: 1-[4-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-1,2,4-triazol-5-yl]ethanone
SYSTEMATIC NAME: 1-[4-[1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-1,2,4-triazol-5-yl]ethanone
MOLECULAR FORMULA: C35H37Cl2N3O2
MOLECULAR WEIGHT: 602.59318
SMILES: CC(C12CC3CC(C1)CC(C3)C2)N4C(N(N=C4C(=O)C)C5=CC=C(C=C5)Cl)C6=CC=CC=C6OCC7=CC=C(C=C7)Cl
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Product OPENEYE NAME: S-[5-nitro-1-(2,2,2-trifluoroacetyl)benzimidazol-2-yl] 2,2,2-trifluoroethanethioate
CAS Name: 2,2,2-trifluoroethanethioic acid S-[5-nitro-1-(2,2,2-trifluoro-1-oxoethyl)-2-benzimidazolyl] ester
IUPAC NAME: S-[5-nitro-1-(2,2,2-trifluoroacetyl)benzimidazol-2-yl] 2,2,2-trifluoroethanethioate
SYSTEMATIC NAME: S-[5-nitro-1-[2,2,2-tris(fluoranyl)ethanoyl]benzimidazol-2-yl] 2,2,2-tris(fluoranyl)ethanethioate
MOLECULAR FORMULA: C11H3F6N3O4S
MOLECULAR WEIGHT: 387.214639
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2C(=O)C(F)(F)F)SC(=O)C(F)(F)F
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Product OPENEYE NAME: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide
CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzenesulfonamide
IUPAC NAME: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide
MOLECULAR FORMULA: C29H23N2O2S+
MOLECULAR WEIGHT: 463.57012
SMILES: C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5
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Product OPENEYE NAME: 5,7-dimethyl-3-(p-tolylazo)pyrazolo[1,5-a]pyrimidin-2-amine
CAS Name: 5,7-dimethyl-3-(4-methylphenyl)azo-2-pyrazolo[1,5-a]pyrimidinamine
IUPAC NAME: 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SYSTEMATIC NAME: 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
MOLECULAR FORMULA: C15H16N6
MOLECULAR WEIGHT: 280.32774
SMILES: CC1=CC=C(C=C1)N=NC2=C3N=C(C=C(N3N=C2N)C)C
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Product OPENEYE NAME: methyl 2-[(3,5-dinitrobenzoyl)amino]acetate
CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]acetic acid methyl ester
IUPAC NAME: methyl 2-[(3,5-dinitrobenzoyl)amino]acetate
SYSTEMATIC NAME: methyl 2-[(3,5-dinitrophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C10H9N3O7
MOLECULAR WEIGHT: 283.19436
SMILES: COC(=O)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyleneamino]acetamide
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
IUPAC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C18H22N4O4S
MOLECULAR WEIGHT: 390.45668
SMILES: CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC(=C(C(=C2)OC)OC)OC)C
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Product OPENEYE NAME: N-(2,2,2-trichloro-1-dimethoxyphosphoryl-ethyl)naphthalene-1-carboxamide
CAS Name: N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)-1-naphthalenecarboxamide
IUPAC NAME: N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)naphthalene-1-carboxamide
SYSTEMATIC NAME: N-[2,2,2-tris(chloranyl)-1-dimethoxyphosphoryl-ethyl]naphthalene-1-carboxamide
MOLECULAR FORMULA: C15H15Cl3NO4P
MOLECULAR WEIGHT: 410.616661
SMILES: COP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC2=CC=CC=C21)OC
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Product OPENEYE NAME: 1-(4-bromophenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone
CAS Name: 1-(4-bromophenyl)-2-[4-(2,4-dimethoxyphenyl)-1-pyrimidin-1-iumyl]ethanone
IUPAC NAME: 1-(4-bromophenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[4-(2,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C20H18BrN2O3+
MOLECULAR WEIGHT: 414.27252
SMILES: COC1=CC(=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br)OC
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Product OPENEYE NAME: 1,1,2,2,3,3,4,4-octafluoro-N-[(2-nitrophenyl)sulfonylmethyl]butan-1-amine
CAS Name: 1,1,2,2,3,3,4,4-octafluoro-N-[(2-nitrophenyl)sulfonylmethyl]-1-butanamine
IUPAC NAME: 1,1,2,2,3,3,4,4-octafluoro-N-[(2-nitrophenyl)sulfonylmethyl]butan-1-amine
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4-octakis(fluoranyl)-N-[(2-nitrophenyl)sulfonylmethyl]butan-1-amine
MOLECULAR FORMULA: C11H8F8N2O4S
MOLECULAR WEIGHT: 416.244446
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)CNC(C(C(C(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 9-chloro-5-cyclohexyl-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: 9-chloro-5-cyclohexyl-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: 9-chloro-5-cyclohexyl-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: 9-chloranyl-5-cyclohexyl-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C22H22ClFN2O
MOLECULAR WEIGHT: 384.874283
SMILES: C1CCC(CC1)C2N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Cl
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Product OPENEYE NAME: 6-[4-[(4-bromophenyl)carbamoylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 6-[4-[[(4-bromoanilino)-oxomethyl]amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 6-[4-[(4-bromophenyl)carbamoylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 6-[4-[(4-bromophenyl)carbamoylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C28H26BrN5O2S
MOLECULAR WEIGHT: 576.50734
SMILES: CC1=C(C(N2CCCSC2=N1)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Br)C(=O)NC5=CC=CC=C5
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