Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-3-phenyl-2-(tetradecylamino)propan-1-ol
CAS Name: (2R)-3-phenyl-2-(tetradecylamino)-1-propanol
IUPAC NAME: (2R)-3-phenyl-2-(tetradecylamino)propan-1-ol
SYSTEMATIC NAME: (2R)-3-phenyl-2-(tetradecylamino)propan-1-ol
MOLECULAR FORMULA: C23H41NO
MOLECULAR WEIGHT: 347.57774
SMILES: CCCCCCCCCCCCCCN[C@H](CC1=CC=CC=C1)CO
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Product OPENEYE NAME: 10-methyl-2-(methylamino)-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 10-methyl-2-(methylamino)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 10-methyl-2-(methylamino)-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 10-methyl-2-(methylamino)-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C12H11N5O2
MOLECULAR WEIGHT: 257.24804
SMILES: CNC1=NC(=O)C2=[N+](C3=CC=CC=C3N(C2=N1)C)[O-]
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-[(5-methyl-2-thienyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-[(5-methyl-2-thiophenyl)methyl]-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H16F3N3O2S2
MOLECULAR WEIGHT: 427.46375
SMILES: CC1=CC=C(S1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-benzyl-N-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-methyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-N-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H18F3N3O2S
MOLECULAR WEIGHT: 421.43603
SMILES: CN(CC1=CC=CC=C1)C2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-(cyclohex-3-en-1-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(1-cyclohex-3-enylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(cyclohex-3-en-1-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(cyclohex-3-en-1-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H20F3N3O2S
MOLECULAR WEIGHT: 411.44121
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3CCC=CC3)C(F)(F)F
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Product OPENEYE NAME: 10-methyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 10-methyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 10-methyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 10-methyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C12H10N4O2S
MOLECULAR WEIGHT: 274.2984
SMILES: CN1C2=CC=CC=C2[N+](=C3C1=NC(=NC3=O)SC)[O-]
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Product OPENEYE NAME: 7-hydroxy-4,8-dimethyl-3,6-dinitro-chromen-2-one
CAS Name: 7-hydroxy-4,8-dimethyl-3,6-dinitro-1-benzopyran-2-one
IUPAC NAME: 7-hydroxy-4,8-dimethyl-3,6-dinitrochromen-2-one
SYSTEMATIC NAME: 4,8-dimethyl-3,6-dinitro-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C11H8N2O7
MOLECULAR WEIGHT: 280.19042
SMILES: CC1=C(C(=O)OC2=C(C(=C(C=C12)[N+](=O)[O-])O)C)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(chloromethyl)-7-hydroxy-8-methoxy-chromen-2-one
CAS Name: 4-(chloromethyl)-7-hydroxy-8-methoxy-1-benzopyran-2-one
IUPAC NAME: 4-(chloromethyl)-7-hydroxy-8-methoxychromen-2-one
SYSTEMATIC NAME: 4-(chloromethyl)-8-methoxy-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C11H9ClO4
MOLECULAR WEIGHT: 240.63976
SMILES: COC1=C(C=CC2=C1OC(=O)C=C2CCl)O
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Product OPENEYE NAME: 4-methyl-3-nitro-chromen-2-one
CAS Name: 4-methyl-3-nitro-1-benzopyran-2-one
IUPAC NAME: 4-methyl-3-nitrochromen-2-one
SYSTEMATIC NAME: 4-methyl-3-nitro-chromen-2-one
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: CC1=C(C(=O)OC2=CC=CC=C12)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanamine
CAS Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanamine
IUPAC NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanamine
SYSTEMATIC NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanamine
MOLECULAR FORMULA: C10H16N4OS
MOLECULAR WEIGHT: 240.32524
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCN
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C26H31NO3
MOLECULAR WEIGHT: 405.52924
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CC4=CC=CC(=C4)C(=O)N)CCC5=C3C=CC(=C5)O
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Product OPENEYE NAME: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-amine
CAS Name: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]-1-propanamine
IUPAC NAME: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-amine
SYSTEMATIC NAME: 3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-amine
MOLECULAR FORMULA: C11H18N4OS
MOLECULAR WEIGHT: 254.35182
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCCN
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