Sunday, June 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-ethoxyimino-acetyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-ethoxyimino-1-oxoethyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-ethoxyimino-ethanoyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C22H21N5O7S2
MOLECULAR WEIGHT: 531.56144
SMILES: CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CC4=CC=C(C=C4)C(=O)O)C(=O)O
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(4-carboxyphenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C21H19N5O7S2
MOLECULAR WEIGHT: 517.53486
SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CC4=CC=C(C=C4)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-[[2-tert-butoxycarbonyl-7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]benzoic acid
CAS Name: 4-[[7-[[(2E)-2-methoxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]benzoic acid
IUPAC NAME: 4-[[7-[[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[7-[[(2E)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]benzoic acid
MOLECULAR FORMULA: C44H41N5O7S2
MOLECULAR WEIGHT: 815.95564
SMILES: CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=C(C=C7)C(=O)O
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Product OPENEYE NAME: 3-[(8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl]benzoic acid
CAS Name: 3-[(8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl]benzoic acid
IUPAC NAME: 3-[(8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl]benzoic acid
SYSTEMATIC NAME: 3-[(8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)methyl]benzoic acid
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: C1C=CN2C(S1)C(C2=O)CC3=CC=CC(=C3)C(=O)O
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Product OPENEYE NAME: 1-(5-aminotetrazol-2-yl)propan-1-ol
CAS Name: 1-(5-amino-2-tetrazolyl)-1-propanol
IUPAC NAME: 1-(5-aminotetrazol-2-yl)propan-1-ol
SYSTEMATIC NAME: 1-(5-azanyl-1,2,3,4-tetrazol-2-yl)propan-1-ol
MOLECULAR FORMULA: C4H9N5O
MOLECULAR WEIGHT: 143.14716
SMILES: CCC(N1N=C(N=N1)N)O
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Product OPENEYE NAME: fumaric acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: (E)-2-butenedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-1-imidazolyl]propoxy]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: (E)-but-2-enedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonyliminoimidazol-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C19H25F3N8O7S
MOLECULAR WEIGHT: 566.51141
SMILES: CN\1C=CN(/C1=N/S(=O)(=O)C)CCCOC2=NC=CC(=N2)NC(=NCC(F)(F)F)N.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-1-imidazolyl]propoxy]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: 1-[2-[3-[(2E)-3-methyl-2-methylsulfonyliminoimidazol-1-yl]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-[2-[3-[(2E)-3-methyl-2-methylsulfonylimino-imidazol-1-yl]propoxy]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C15H21F3N8O3S
MOLECULAR WEIGHT: 450.43925
SMILES: CN\1C=CN(/C1=N/S(=O)(=O)C)CCCOC2=NC=CC(=N2)NC(=NCC(F)(F)F)N
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Product OPENEYE NAME: 1-(5-aminotetrazol-2-yl)propan-2-ol
CAS Name: 1-(5-amino-2-tetrazolyl)-2-propanol
IUPAC NAME: 1-(5-aminotetrazol-2-yl)propan-2-ol
SYSTEMATIC NAME: 1-(5-azanyl-1,2,3,4-tetrazol-2-yl)propan-2-ol
MOLECULAR FORMULA: C4H9N5O
MOLECULAR WEIGHT: 143.14716
SMILES: CC(CN1N=C(N=N1)N)O
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Product OPENEYE NAME: 4-[amino(methyl)amino]-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(methyl)amino]-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(methyl)amino]-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(methyl)amino]-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C12H13Cl2N5O
MOLECULAR WEIGHT: 314.17052
SMILES: CCC1=NC(=NC(=O)N1C2=CC(=C(C=C2)Cl)Cl)N(C)N
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Product OPENEYE NAME: N-[5-(3,4-diethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
CAS Name: N-[5-(3,4-diethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
IUPAC NAME: N-[5-(3,4-diethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
SYSTEMATIC NAME: N-[5-(3,4-diethoxyphenyl)-4-oxidanylidene-1,3,5-triazin-2-yl]ethanehydrazide
MOLECULAR FORMULA: C15H19N5O4
MOLECULAR WEIGHT: 333.34246
SMILES: CCOC1=C(C=C(C=C1)N2C=NC(=NC2=O)N(C(=O)C)N)OCC
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Product OPENEYE NAME: 4-[amino(prop-2-ynyl)amino]-6-ethyl-1-(o-tolyl)-1,3,5-triazin-2-one
CAS Name: 4-[amino(prop-2-ynyl)amino]-6-ethyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(prop-2-ynyl)amino]-6-ethyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(prop-2-ynyl)amino]-6-ethyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C15H17N5O
MOLECULAR WEIGHT: 283.32838
SMILES: CCC1=NC(=NC(=O)N1C2=CC=CC=C2C)N(CC#C)N
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(2-ethylphenyl)-4-hydrazino-6-methyl-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(2-ethylphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(2-ethylphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 4-diazanyl-1-(2-ethylphenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C19H21N5O
MOLECULAR WEIGHT: 335.40294
SMILES: CCC1=CC=CC=C1N2C(=NC(=NC2=O)NN)C.C1C2=CC=C1C=C2
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Product OPENEYE NAME: 1-(2-ethylphenyl)-4-hydrazino-6-methyl-1,3,5-triazin-2-one
CAS Name: 1-(2-ethylphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: 1-(2-ethylphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-diazanyl-1-(2-ethylphenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C12H15N5O
MOLECULAR WEIGHT: 245.2804
SMILES: CCC1=CC=CC=C1N2C(=NC(=NC2=O)NN)C
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Product OPENEYE NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-hydrazino-1-(4-methyl-2-pyridyl)-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-hydrazinyl-1-(4-methyl-2-pyridinyl)-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-hydrazinyl-1-(4-methylpyridin-2-yl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-diazanyl-1-(4-methylpyridin-2-yl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C15H14N6O
MOLECULAR WEIGHT: 294.31126
SMILES: CC1=CC(=NC=C1)N2C=NC(=NC2=O)NN.C1=CC2=C1C=C2
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Product OPENEYE NAME: 4-hydrazino-1-(4-methyl-2-pyridyl)-1,3,5-triazin-2-one
CAS Name: 4-hydrazinyl-1-(4-methyl-2-pyridinyl)-1,3,5-triazin-2-one
IUPAC NAME: 4-hydrazinyl-1-(4-methylpyridin-2-yl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-diazanyl-1-(4-methylpyridin-2-yl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C9H10N6O
MOLECULAR WEIGHT: 218.2153
SMILES: CC1=CC(=NC=C1)N2C=NC(=NC2=O)NN
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Product OPENEYE NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(2-ethylphenyl)-4-hydrazino-6-methyl-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(2-ethylphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1-(2-ethylphenyl)-4-hydrazinyl-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-diazanyl-1-(2-ethylphenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C18H19N5O
MOLECULAR WEIGHT: 321.37636
SMILES: CCC1=CC=CC=C1N2C(=NC(=NC2=O)NN)C.C1=CC2=C1C=C2
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 4-hydrazino-1-(o-tolyl)-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 4-hydrazinyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 4-hydrazinyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 4-diazanyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C17H17N5O
MOLECULAR WEIGHT: 307.34978
SMILES: CC1=CC=CC=C1N2C=NC(=NC2=O)NN.C1C2=CC=C1C=C2
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Product OPENEYE NAME: 4-hydrazino-1-(o-tolyl)-1,3,5-triazin-2-one
CAS Name: 4-hydrazinyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
IUPAC NAME: 4-hydrazinyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-diazanyl-1-(2-methylphenyl)-1,3,5-triazin-2-one
MOLECULAR FORMULA: C10H11N5O
MOLECULAR WEIGHT: 217.22724
SMILES: CC1=CC=CC=C1N2C=NC(=NC2=O)NN
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Product OPENEYE NAME: 2-(4-hydrazino-2-oxo-1,3,5-triazin-1-yl)pyridine-3-carbonitrile
CAS Name: 2-(4-hydrazinyl-2-oxo-1,3,5-triazin-1-yl)-3-pyridinecarbonitrile
IUPAC NAME: 2-(4-hydrazinyl-2-oxo-1,3,5-triazin-1-yl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-(4-diazanyl-2-oxidanylidene-1,3,5-triazin-1-yl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C9H7N7O
MOLECULAR WEIGHT: 229.19818
SMILES: C1=CC(=C(N=C1)N2C=NC(=NC2=O)NN)C#N
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Product OPENEYE NAME: 4-[amino(methyl)amino]-1-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
CAS Name: 4-[amino(methyl)amino]-1-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
IUPAC NAME: 4-[amino(methyl)amino]-1-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-[azanyl(methyl)amino]-1-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C11H12ClN5O
MOLECULAR WEIGHT: 265.69888
SMILES: CC1=NC(=NC(=O)N1C2=CC=C(C=C2)Cl)N(C)N
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3,4-dichlorophenyl)-6-ethyl-4-hydrazino-1,3,5-triazin-2-one
CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3,4-dichlorophenyl)-6-ethyl-4-hydrazinyl-1,3,5-triazin-2-one
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 1-(3,4-dichlorophenyl)-6-ethyl-4-hydrazinyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-triene; 4-diazanyl-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C18H17Cl2N5O
MOLECULAR WEIGHT: 390.26648
SMILES: CCC1=NC(=NC(=O)N1C2=CC(=C(C=C2)Cl)Cl)NN.C1C2=CC=C1C=C2
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-6-ethyl-4-hydrazino-1,3,5-triazin-2-one
CAS Name: 1-(3,4-dichlorophenyl)-6-ethyl-4-hydrazinyl-1,3,5-triazin-2-one
IUPAC NAME: 1-(3,4-dichlorophenyl)-6-ethyl-4-hydrazinyl-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4-diazanyl-1-(3,4-dichlorophenyl)-6-ethyl-1,3,5-triazin-2-one
MOLECULAR FORMULA: C11H11Cl2N5O
MOLECULAR WEIGHT: 300.14394
SMILES: CCC1=NC(=NC(=O)N1C2=CC(=C(C=C2)Cl)Cl)NN
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