Monday, August 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-tert-butylphenyl)-3-[(2,6-difluorophenyl)methyl]urea
CAS Name: 1-(4-tert-butylphenyl)-3-[(2,6-difluorophenyl)methyl]urea
IUPAC NAME: 1-(4-tert-butylphenyl)-3-[(2,6-difluorophenyl)methyl]urea
SYSTEMATIC NAME: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(4-tert-butylphenyl)urea
MOLECULAR FORMULA: C18H20F2N2O
MOLECULAR WEIGHT: 318.361006
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC2=C(C=CC=C2F)F
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Product OPENEYE NAME: N-[[4-(3,5-dichloro-2-pyridyl)-2-hydroxy-phenyl]carbamoyl]-2,6-difluoro-benzamide
CAS Name: N-[[4-(3,5-dichloro-2-pyridinyl)-2-hydroxyanilino]-oxomethyl]-2,6-difluorobenzamide
IUPAC NAME: N-[[4-(3,5-dichloropyridin-2-yl)-2-hydroxyphenyl]carbamoyl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[[4-[3,5-bis(chloranyl)pyridin-2-yl]-2-oxidanyl-phenyl]carbamoyl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C19H11Cl2F2N3O3
MOLECULAR WEIGHT: 438.211746
SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)C3=C(C=C(C=N3)Cl)Cl)O)F
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Product OPENEYE NAME: 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)urea
CAS Name: 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)urea
IUPAC NAME: 1-[(2,6-dichlorophenyl)methyl]-3-(4-fluorophenyl)urea
SYSTEMATIC NAME: 1-[[2,6-bis(chloranyl)phenyl]methyl]-3-(4-fluorophenyl)urea
MOLECULAR FORMULA: C14H11Cl2FN2O
MOLECULAR WEIGHT: 313.154343
SMILES: C1=CC(=C(C(=C1)Cl)CNC(=O)NC2=CC=C(C=C2)F)Cl
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Product OPENEYE NAME: 1-[(2,6-difluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CAS Name: 1-[(2,6-difluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-[(2,6-difluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H11F5N2O
MOLECULAR WEIGHT: 330.252656
SMILES: C1=CC(=C(C(=C1)F)CNC(=O)NC2=CC=C(C=C2)C(F)(F)F)F
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Product OPENEYE NAME: 4-bromothiophen-2-ol; methane
CAS Name: 4-bromo-2-thiophenol; methane
IUPAC NAME: 4-bromothiophen-2-ol; methane
SYSTEMATIC NAME: 4-bromanylthiophen-2-ol; methane
MOLECULAR FORMULA: C5H7BrOS
MOLECULAR WEIGHT: 195.07748
SMILES: C.C1=C(SC=C1Br)O
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Product OPENEYE NAME: 4-bromothiophen-2-ol
CAS Name: 4-bromo-2-thiophenol
IUPAC NAME: 4-bromothiophen-2-ol
SYSTEMATIC NAME: 4-bromanylthiophen-2-ol
MOLECULAR FORMULA: C4H3BrOS
MOLECULAR WEIGHT: 179.03502
SMILES: C1=C(SC=C1Br)O
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Product OPENEYE NAME: zinc methoxybenzene bromide
CAS Name: zinc methoxybenzene bromide
IUPAC NAME: zinc methoxybenzene bromide
SYSTEMATIC NAME: zinc methoxybenzene bromide
MOLECULAR FORMULA: C7H7BrOZn
MOLECULAR WEIGHT: 252.44288
SMILES: COC1=CC=[C-]C=C1.[Zn+2].[Br-]
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Product OPENEYE NAME: 4-benzylthiophen-2-ol; methane
CAS Name: methane; 4-(phenylmethyl)-2-thiophenol
IUPAC NAME: 4-benzylthiophen-2-ol; methane
SYSTEMATIC NAME: methane; 4-(phenylmethyl)thiophen-2-ol
MOLECULAR FORMULA: C12H14OS
MOLECULAR WEIGHT: 206.30396
SMILES: C.C1=CC=C(C=C1)CC2=CSC(=C2)O
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Product OPENEYE NAME: 4-benzylthiophen-2-ol
CAS Name: 4-(phenylmethyl)-2-thiophenol
IUPAC NAME: 4-benzylthiophen-2-ol
SYSTEMATIC NAME: 4-(phenylmethyl)thiophen-2-ol
MOLECULAR FORMULA: C11H10OS
MOLECULAR WEIGHT: 190.2615
SMILES: C1=CC=C(C=C1)CC2=CSC(=C2)O
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Product OPENEYE NAME: (E)-7-[2-morpholino-3-oxo-5-(2-thienylmethoxy)cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[2-(4-morpholinyl)-3-oxo-5-(thiophen-2-ylmethoxy)cyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[2-morpholin-4-yl-3-oxo-5-(thiophen-2-ylmethoxy)cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[2-morpholin-4-yl-3-oxidanylidene-5-(thiophen-2-ylmethoxy)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H29NO5S
MOLECULAR WEIGHT: 407.52366
SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC=CS3)C/C=C/CCCC(=O)O
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Product OPENEYE NAME: (E)-7-[5-[(4-benzyl-2-thienyl)methoxy]-2-morpholino-3-oxo-cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[2-(4-morpholinyl)-3-oxo-5-[[4-(phenylmethyl)-2-thiophenyl]methoxy]cyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[5-[(4-benzylthiophen-2-yl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[2-morpholin-4-yl-3-oxidanylidene-5-[[4-(phenylmethyl)thiophen-2-yl]methoxy]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C28H35NO5S
MOLECULAR WEIGHT: 497.6462
SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC(=CS3)CC4=CC=CC=C4)C/C=C/CCCC(=O)O
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Product OPENEYE NAME: 2-(bromomethyl)-4-(4-methoxyphenyl)thiophene
CAS Name: 2-(bromomethyl)-4-(4-methoxyphenyl)thiophene
IUPAC NAME: 2-(bromomethyl)-4-(4-methoxyphenyl)thiophene
SYSTEMATIC NAME: 2-(bromomethyl)-4-(4-methoxyphenyl)thiophene
MOLECULAR FORMULA: C12H11BrOS
MOLECULAR WEIGHT: 283.18414
SMILES: COC1=CC=C(C=C1)C2=CSC(=C2)CBr
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Product OPENEYE NAME: 4-benzyl-2-(bromomethyl)thiophene
CAS Name: 2-(bromomethyl)-4-(phenylmethyl)thiophene
IUPAC NAME: 4-benzyl-2-(bromomethyl)thiophene
SYSTEMATIC NAME: 2-(bromomethyl)-4-(phenylmethyl)thiophene
MOLECULAR FORMULA: C12H11BrS
MOLECULAR WEIGHT: 267.18474
SMILES: C1=CC=C(C=C1)CC2=CSC(=C2)CBr
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Product OPENEYE NAME: methyl (E)-7-[3-hydroxy-2-morpholino-5-(3-thienylmethoxy)cyclopentyl]hept-5-enoate
CAS Name: (E)-7-[3-hydroxy-2-(4-morpholinyl)-5-(3-thiophenylmethoxy)cyclopentyl]-5-heptenoic acid methyl ester
IUPAC NAME: methyl (E)-7-[3-hydroxy-2-morpholin-4-yl-5-(thiophen-3-ylmethoxy)cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (E)-7-[2-morpholin-4-yl-3-oxidanyl-5-(thiophen-3-ylmethoxy)cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C22H33NO5S
MOLECULAR WEIGHT: 423.56612
SMILES: COC(=O)CCC/C=C/CC1C(CC(C1N2CCOCC2)O)OCC3=CSC=C3
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Product OPENEYE NAME: (E)-7-[5-[(5-cyclohexyl-2-thienyl)methoxy]-3-hydroxy-2-morpholino-cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[5-[(5-cyclohexyl-2-thiophenyl)methoxy]-3-hydroxy-2-(4-morpholinyl)cyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[5-[(5-cyclohexylthiophen-2-yl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[5-[(5-cyclohexylthiophen-2-yl)methoxy]-2-morpholin-4-yl-3-oxidanyl-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C27H41NO5S
MOLECULAR WEIGHT: 491.68314
SMILES: C1CCC(CC1)C2=CC=C(S2)COC3CC(C(C3C/C=C/CCCC(=O)O)N4CCOCC4)O
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Product OPENEYE NAME: (E)-7-[5-[(4-methyl-2-thienyl)methoxy]-2-morpholino-3-oxo-cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[5-[(4-methyl-2-thiophenyl)methoxy]-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[5-[(4-methylthiophen-2-yl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[5-[(4-methylthiophen-2-yl)methoxy]-2-morpholin-4-yl-3-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H31NO5S
MOLECULAR WEIGHT: 421.55024
SMILES: CC1=CSC(=C1)COC2CC(=O)C(C2C/C=C/CCCC(=O)O)N3CCOCC3
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