Tuesday, November 1, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(3,4-diethoxyphenyl)thiazole
CAS Name: 2-(3,4-diethoxyphenyl)thiazole
IUPAC NAME: 2-(3,4-diethoxyphenyl)-1,3-thiazole
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)-1,3-thiazole
MOLECULAR FORMULA: C13H15NO2S
MOLECULAR WEIGHT: 249.3287
SMILES: CCOC1=C(C=C(C=C1)C2=NC=CS2)OCC
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Product OPENEYE NAME: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-thiazole dihydrochloride
CAS Name: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-2H-thiazole dihydrochloride
IUPAC NAME: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-1,3-thiazole dihydrochloride
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-1,3-thiazole dihydrochloride
MOLECULAR FORMULA: C26H37Cl2N3O3S
MOLECULAR WEIGHT: 542.56128
SMILES: CCOC1=C(C=C(C=C1)C2N(C(=CS2)C3=CC(=CC=C3)CN4CCN(CC4)C)OC)OCC.Cl.Cl
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Product OPENEYE NAME: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-thiazole
CAS Name: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-2H-thiazole
IUPAC NAME: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-1,3-thiazole
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)-3-methoxy-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2H-1,3-thiazole
MOLECULAR FORMULA: C26H35N3O3S
MOLECULAR WEIGHT: 469.6394
SMILES: CCOC1=C(C=C(C=C1)C2N(C(=CS2)C3=CC(=CC=C3)CN4CCN(CC4)C)OC)OCC
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thiazol-4-ol trihydrochloride
CAS Name: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-4-thiazolol trihydrochloride
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-ol trihydrochloride
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-ol trihydrochloride
MOLECULAR FORMULA: C23H30Cl3N3O3S
MOLECULAR WEIGHT: 534.9266
SMILES: CN1CCN(CC1)CC2=CC=CC(=C2)C3=C(N=C(S3)C4=CC(=C(C=C4)OC)OC)O.Cl.Cl.Cl
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thiazol-4-ol
CAS Name: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-4-thiazolol
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-ol
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-ol
MOLECULAR FORMULA: C23H27N3O3S
MOLECULAR WEIGHT: 425.54378
SMILES: CN1CCN(CC1)CC2=CC=CC(=C2)C3=C(N=C(S3)C4=CC(=C(C=C4)OC)OC)O
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Product OPENEYE NAME: [3-[2-(3,4-diethoxyphenyl)-3-methoxy-2H-thiazol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CAS Name: [3-[2-(3,4-diethoxyphenyl)-3-methoxy-2H-thiazol-4-yl]phenyl]-(4-methyl-1-piperazinyl)methanone
IUPAC NAME: [3-[2-(3,4-diethoxyphenyl)-3-methoxy-2H-1,3-thiazol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [3-[2-(3,4-diethoxyphenyl)-3-methoxy-2H-1,3-thiazol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C26H33N3O4S
MOLECULAR WEIGHT: 483.62292
SMILES: CCOC1=C(C=C(C=C1)C2N(C(=CS2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C)OC)OCC
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Product OPENEYE NAME: (4Z)-4-[5-[3-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3H-thiazol-2-ylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one trihydrochloride
CAS Name: (4Z)-4-[5-[3-(4-ethyl-1-piperazinyl)phenyl]-4-methoxy-3H-thiazol-2-ylidene]-2-hydroxy-1-cyclohexa-2,5-dienone trihydrochloride
IUPAC NAME: (4Z)-4-[5-[3-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3H-1,3-thiazol-2-ylidene]-2-hydroxycyclohexa-2,5-dien-1-one trihydrochloride
SYSTEMATIC NAME: (4Z)-4-[5-[3-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3H-1,3-thiazol-2-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one trihydrochloride
MOLECULAR FORMULA: C22H28Cl3N3O3S
MOLECULAR WEIGHT: 520.90002
SMILES: CCN1CCN(CC1)C2=CC=CC(=C2)C3=C(N/C(=C/4\C=CC(=O)C(=C4)O)/S3)OC.Cl.Cl.Cl
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Product OPENEYE NAME: (4Z)-4-[5-[3-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3H-thiazol-2-ylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one
CAS Name: (4Z)-4-[5-[3-(4-ethyl-1-piperazinyl)phenyl]-4-methoxy-3H-thiazol-2-ylidene]-2-hydroxy-1-cyclohexa-2,5-dienone
IUPAC NAME: (4Z)-4-[5-[3-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3H-1,3-thiazol-2-ylidene]-2-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-4-[5-[3-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3H-1,3-thiazol-2-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CCN1CCN(CC1)C2=CC=CC(=C2)C3=C(N/C(=C/4\C=CC(=O)C(=C4)O)/S3)OC
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Product OPENEYE NAME: 1-(4-butoxyphenyl)-N-isopropoxy-1-(1,2,4-triazol-1-yl)methanimine
CAS Name: 1-(4-butoxyphenyl)-N-propan-2-yloxy-1-(1,2,4-triazol-1-yl)methanimine
IUPAC NAME: 1-(4-butoxyphenyl)-N-propan-2-yloxy-1-(1,2,4-triazol-1-yl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-propan-2-yloxy-1-(1,2,4-triazol-1-yl)methanimine
MOLECULAR FORMULA: C16H22N4O2
MOLECULAR WEIGHT: 302.37148
SMILES: CCCCOC1=CC=C(C=C1)/C(=N/OC(C)C)/N2C=NC=N2
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Product OPENEYE NAME: 3-isopentylbenzenecarbohydroxamic acid
CAS Name: N-hydroxy-3-(3-methylbutyl)benzamide
IUPAC NAME: N-hydroxy-3-(3-methylbutyl)benzamide
SYSTEMATIC NAME: 3-(3-methylbutyl)-N-oxidanyl-benzamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC(C)CCC1=CC=CC(=C1)C(=O)NO
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Product OPENEYE NAME: (1E)-N-propoxy-1-(1,2,4-triazol-3-ylidene)-1-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CAS Name: (1E)-N-propoxy-1-(1,2,4-triazol-3-ylidene)-1-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
IUPAC NAME: (1E)-N-propoxy-1-(1,2,4-triazol-3-ylidene)-1-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
SYSTEMATIC NAME: (1E)-N-propoxy-1-(1,2,4-triazol-3-ylidene)-1-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]methanamine
MOLECULAR FORMULA: C14H15F3N4O2
MOLECULAR WEIGHT: 328.28971
SMILES: CCCON/C(=C/1\N=CN=N1)/C2=CC=CC=C2OCC(F)(F)F
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Product OPENEYE NAME: 1-benzyl-5-methoxycarbonyl-pyrrolidine-2-carboxylate
CAS Name: 5-methoxycarbonyl-1-(phenylmethyl)-2-pyrrolidinecarboxylate
IUPAC NAME: 1-benzyl-5-methoxycarbonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: 5-methoxycarbonyl-1-(phenylmethyl)pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C14H16NO4-
MOLECULAR WEIGHT: 262.28114
SMILES: COC(=O)C1CCC(N1CC2=CC=CC=C2)C(=O)[O-]
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Product OPENEYE NAME: 1-hydroxyethyl 7-oxo-2-phenylselanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 7-oxo-2-(phenylseleno)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-hydroxyethyl ester
IUPAC NAME: 1-hydroxyethyl 7-oxo-2-phenylselanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 1-hydroxyethyl 7-oxidanylidene-2-phenylselanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C15H17NO4Se
MOLECULAR WEIGHT: 354.25978
SMILES: CC(O)OC(=O)C1(CCC2N1C(=O)C2)[Se]C3=CC=CC=C3
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Product OPENEYE NAME: 7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C11H14N2O3S
MOLECULAR WEIGHT: 254.30546
SMILES: C1CNCC1SC2C3CC=C(N3C2=O)C(=O)O
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Product OPENEYE NAME: 1-tert-butoxycarbonylpropyl 2-hydroxypyrrolidine-2-carboxylate
CAS Name: 2-hydroxy-2-pyrrolidinecarboxylic acid [1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl] ester
IUPAC NAME: [1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl] 2-hydroxypyrrolidine-2-carboxylate
SYSTEMATIC NAME: [1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-butan-2-yl] 2-oxidanylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C13H23NO5
MOLECULAR WEIGHT: 273.32542
SMILES: CCC(C(=O)OC(C)(C)C)OC(=O)C1(CCCN1)O
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Product OPENEYE NAME: 1-benzyl-5-(1-tert-butoxycarbonylpropyl)-2-hydroxy-pyrrolidine-2-carboxylate
CAS Name: 2-hydroxy-5-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-1-(phenylmethyl)-2-pyrrolidinecarboxylate
IUPAC NAME: 1-benzyl-2-hydroxy-5-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]pyrrolidine-2-carboxylate
SYSTEMATIC NAME: 5-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-butan-2-yl]-2-oxidanyl-1-(phenylmethyl)pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C20H28NO5-
MOLECULAR WEIGHT: 362.44002
SMILES: CCC(C1CCC(N1CC2=CC=CC=C2)(C(=O)[O-])O)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 1-benzyl-5-(1-tert-butoxycarbonylpropyl)-2-hydroxy-pyrrolidine-2-carboxylic acid
CAS Name: 2-hydroxy-5-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-benzyl-2-hydroxy-5-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 5-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-butan-2-yl]-2-oxidanyl-1-(phenylmethyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H29NO5
MOLECULAR WEIGHT: 363.44796
SMILES: CCC(C1CCC(N1CC2=CC=CC=C2)(C(=O)O)O)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 6-[[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C19H18N3O7S-
MOLECULAR WEIGHT: 432.42712
SMILES: C1CN(CC1SC2C3CC=C(N3C2=O)C(=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 6-[[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H19N3O7S
MOLECULAR WEIGHT: 433.43506
SMILES: C1CN(CC1SC2C3CC=C(N3C2=O)C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-hydroxyethyl 3-chloro-3-ethylsulfinyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3-chloro-3-ethylsulfinyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-hydroxyethyl ester
IUPAC NAME: 1-hydroxyethyl 3-chloro-3-ethylsulfinyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 1-hydroxyethyl 3-chloranyl-3-ethylsulfinyl-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C11H16ClNO5S
MOLECULAR WEIGHT: 309.76644
SMILES: CCS(=O)C1(CC2CC(=O)N2C1C(=O)OC(C)O)Cl
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