Friday, April 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]benzamide
CAS Name: N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]benzamide
IUPAC NAME: N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]benzamide
SYSTEMATIC NAME: N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]benzamide
MOLECULAR FORMULA: C31H25N3O
MOLECULAR WEIGHT: 455.5497
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65
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Product OPENEYE NAME: (2-chloro-1-iodo-ethyl)benzene
CAS Name: (2-chloro-1-iodoethyl)benzene
IUPAC NAME: (2-chloro-1-iodoethyl)benzene
SYSTEMATIC NAME: (2-chloranyl-1-iodanyl-ethyl)benzene
MOLECULAR FORMULA: C8H8ClI
MOLECULAR WEIGHT: 266.50659
SMILES: C1=CC=C(C=C1)C(CCl)I
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Product OPENEYE NAME: 2-chloro-1-iodo-3,3-dimethyl-butane
CAS Name: 2-chloro-1-iodo-3,3-dimethylbutane
IUPAC NAME: 2-chloro-1-iodo-3,3-dimethylbutane
SYSTEMATIC NAME: 2-chloranyl-1-iodanyl-3,3-dimethyl-butane
MOLECULAR FORMULA: C6H12ClI
MOLECULAR WEIGHT: 246.51695
SMILES: CC(C)(C)C(CI)Cl
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Product OPENEYE NAME: 2-bromo-1-iodo-3,3-dimethyl-butane
CAS Name: 2-bromo-1-iodo-3,3-dimethylbutane
IUPAC NAME: 2-bromo-1-iodo-3,3-dimethylbutane
SYSTEMATIC NAME: 2-bromanyl-1-iodanyl-3,3-dimethyl-butane
MOLECULAR FORMULA: C6H12BrI
MOLECULAR WEIGHT: 290.96795
SMILES: CC(C)(C)C(CI)Br
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Product OPENEYE NAME: (1Z,5R,6R)-5-bromo-6-fluoro-cyclooctene
CAS Name: (1Z,5R,6R)-5-bromo-6-fluorocyclooctene
IUPAC NAME: (1Z,5R,6R)-5-bromo-6-fluorocyclooctene
SYSTEMATIC NAME: (1Z,5R,6R)-5-bromanyl-6-fluoranyl-cyclooctene
MOLECULAR FORMULA: C8H12BrF
MOLECULAR WEIGHT: 207.083283
SMILES: C/1C[C@H]([C@@H](CC/C=C1)Br)F
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Product OPENEYE NAME: 2-[methyl(diphenyl)silyl]acetic acid
CAS Name: 2-[methyl(diphenyl)silyl]acetic acid
IUPAC NAME: 2-[methyl(diphenyl)silyl]acetic acid
SYSTEMATIC NAME: 2-[methyl(diphenyl)silyl]ethanoic acid
MOLECULAR FORMULA: C15H16O2Si
MOLECULAR WEIGHT: 256.37184
SMILES: C[Si](CC(=O)O)(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[methyl(diphenyl)silyl]butanoic acid
CAS Name: 2-[methyl(diphenyl)silyl]butanoic acid
IUPAC NAME: 2-[methyl(diphenyl)silyl]butanoic acid
SYSTEMATIC NAME: 2-[methyl(diphenyl)silyl]butanoic acid
MOLECULAR FORMULA: C17H20O2Si
MOLECULAR WEIGHT: 284.425
SMILES: CCC(C(=O)O)[Si](C)(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CAS Name: 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid
IUPAC NAME: 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
MOLECULAR FORMULA: C13H14N2O4S
MOLECULAR WEIGHT: 294.32626
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)CSCCC(=O)O
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-5-(2-pyridylsulfanylmethyl)-1,2,4-oxadiazole
CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(2-pyridinylthio)methyl]-1,2,4-oxadiazole
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=N3)OC
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Product OPENEYE NAME: 5-[(4-chlorophenyl)sulfanylmethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
IUPAC NAME: 5-[(4-chlorophenyl)sulfanylmethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[(4-chlorophenyl)sulfanylmethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C17H15ClN2O3S
MOLECULAR WEIGHT: 362.8306
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=CC=C(C=C3)Cl)OC
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Product OPENEYE NAME: 5-(2-chloroethyl)thiazol-2-amine
CAS Name: 5-(2-chloroethyl)-2-thiazolamine
IUPAC NAME: 5-(2-chloroethyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-(2-chloroethyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C5H7ClN2S
MOLECULAR WEIGHT: 162.64048
SMILES: C1=C(SC(=N1)N)CCCl
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Product OPENEYE NAME: 5-(2-aminoethyl)thiazol-2-amine
CAS Name: 5-(2-aminoethyl)-2-thiazolamine
IUPAC NAME: 5-(2-aminoethyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-(2-azanylethyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C5H9N3S
MOLECULAR WEIGHT: 143.21006
SMILES: C1=C(SC(=N1)N)CCN
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Product OPENEYE NAME: 5-[2-(methylamino)ethyl]thiazol-2-amine
CAS Name: 5-[2-(methylamino)ethyl]-2-thiazolamine
IUPAC NAME: 5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C6H11N3S
MOLECULAR WEIGHT: 157.23664
SMILES: CNCCC1=CN=C(S1)N
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Product OPENEYE NAME: 5-[2-(dimethylamino)ethyl]-N,N-dimethyl-thiazol-2-amine
CAS Name: 5-[2-(dimethylamino)ethyl]-N,N-dimethyl-2-thiazolamine
IUPAC NAME: 5-[2-(dimethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-[2-(dimethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H17N3S
MOLECULAR WEIGHT: 199.31638
SMILES: CN(C)CCC1=CN=C(S1)N(C)C
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Product OPENEYE NAME: 1-bromo-4-(dimethylamino)butan-2-one
CAS Name: 1-bromo-4-(dimethylamino)-2-butanone
IUPAC NAME: 1-bromo-4-(dimethylamino)butan-2-one
SYSTEMATIC NAME: 1-bromanyl-4-(dimethylamino)butan-2-one
MOLECULAR FORMULA: C6H12BrNO
MOLECULAR WEIGHT: 194.06958
SMILES: CN(C)CCC(=O)CBr
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Product OPENEYE NAME: N,N-dimethyl-2-thiazol-4-yl-ethanamine
CAS Name: N,N-dimethyl-2-(4-thiazolyl)ethanamine
IUPAC NAME: N,N-dimethyl-2-(1,3-thiazol-4-yl)ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-(1,3-thiazol-4-yl)ethanamine
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: CN(C)CCC1=CSC=N1
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Product OPENEYE NAME: (E)-N',N'-dimethylbut-2-ene-1,4-diamine
CAS Name: (E)-N',N'-dimethyl-2-butene-1,4-diamine
IUPAC NAME: (E)-N',N'-dimethylbut-2-ene-1,4-diamine
SYSTEMATIC NAME: (E)-N',N'-dimethylbut-2-ene-1,4-diamine
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: CN(C)C/C=C/CN
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