Wednesday, November 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-(2-furyl)imidazolidine
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(2-furanyl)imidazolidine
IUPAC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazolidine
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazolidine
MOLECULAR FORMULA: C21H20Cl2N2O
MOLECULAR WEIGHT: 387.3023
SMILES: C1CN(C(N1CC2=CC=C(C=C2)Cl)C3=CC=CO3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1,3-bis[(3-chlorophenyl)methyl]-2-phenyl-imidazolidine
CAS Name: 1,3-bis[(3-chlorophenyl)methyl]-2-phenylimidazolidine
IUPAC NAME: 1,3-bis[(3-chlorophenyl)methyl]-2-phenylimidazolidine
SYSTEMATIC NAME: 1,3-bis[(3-chlorophenyl)methyl]-2-phenyl-imidazolidine
MOLECULAR FORMULA: C23H22Cl2N2
MOLECULAR WEIGHT: 397.34018
SMILES: C1CN(C(N1CC2=CC(=CC=C2)Cl)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl
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MOLECULAR FORMULA: C14H14N2O4
MOLECULAR WEIGHT: 274.27196
SMILES: COC1=C(C2=C3C(=CN2C=O)CCN(C3=C1)C=O)OC
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MOLECULAR FORMULA: C22H18N6O3S
MOLECULAR WEIGHT: 446.48172
SMILES: CC1=NN2C=NC3=C(C2=N1)C(=CN3C4=CC=C(C=C4)S(=O)(=O)NC(=O)C)C5=CC=CC=C5
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MOLECULAR FORMULA: C19H14N6O2S
MOLECULAR WEIGHT: 390.41846
SMILES: C1=CC=C(C=C1)C2=CN(C3=C2C4=NC=NN4C=N3)C5=CC=C(C=C5)S(=O)(=O)N
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Product OPENEYE NAME: 6-(cyclopentoxy)-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-cyclopentyloxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-cyclopentyloxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-cyclopentyloxy-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C21H23N3O3S2
MOLECULAR WEIGHT: 429.55562
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)OC3CCCC3)NCC4=CC=CS4
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Product OPENEYE NAME: 6-(2-methoxyethoxy)-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-(2-methoxyethoxy)-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-(2-methoxyethoxy)-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-(2-methoxyethoxy)-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H21N3O4S2
MOLECULAR WEIGHT: 419.51774
SMILES: COCCOC1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]pyrimidin-4-amine
MOLECULAR FORMULA: C20H15F6N3O3S
MOLECULAR WEIGHT: 491.406819
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: N-(2-furylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(2-furanylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H14F3N3O3S
MOLECULAR WEIGHT: 397.37157
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=CO3)C(F)(F)F
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Product OPENEYE NAME: 4-[4-(benzothiophen-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-(1-benzothiophen-2-ylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(1-benzothiophen-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-(1-benzothiophen-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C20H15F3N4O2S2
MOLECULAR WEIGHT: 464.48391
SMILES: C1=CC=C2C(=C1)C=C(S2)CNC3=NC(=NC(=C3)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(4-pyridylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H15F3N4O2S
MOLECULAR WEIGHT: 408.39751
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=NC=C3)C(F)(F)F
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Product OPENEYE NAME: 4-[4-(2-furylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-(2-furanylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C16H13F3N4O3S
MOLECULAR WEIGHT: 398.35963
SMILES: C1=COC(=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 7-hydroxy-4-methyl-2-oxo-chromene-8-carbonitrile
CAS Name: 7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-carbonitrile
IUPAC NAME: 7-hydroxy-4-methyl-2-oxochromene-8-carbonitrile
SYSTEMATIC NAME: 4-methyl-7-oxidanyl-2-oxidanylidene-chromene-8-carbonitrile
MOLECULAR FORMULA: C11H7NO3
MOLECULAR WEIGHT: 201.17818
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2C#N)O
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Product OPENEYE NAME: 3-bromo-7-hydroxy-4-methyl-8-nitro-chromen-2-one
CAS Name: 3-bromo-7-hydroxy-4-methyl-8-nitro-1-benzopyran-2-one
IUPAC NAME: 3-bromo-7-hydroxy-4-methyl-8-nitrochromen-2-one
SYSTEMATIC NAME: 3-bromanyl-4-methyl-8-nitro-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H6BrNO5
MOLECULAR WEIGHT: 300.06234
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2[N+](=O)[O-])O)Br
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Product OPENEYE NAME: 2-[6-[(2-iodophenyl)methylamino]purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
CAS Name: 2-[6-[(2-iodophenyl)methylamino]-9-purinyl]-N-methyl-1-cyclopent-3-enecarboxamide
IUPAC NAME: 2-[6-[(2-iodophenyl)methylamino]purin-9-yl]-N-methylcyclopent-3-ene-1-carboxamide
SYSTEMATIC NAME: 2-[6-[(2-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
MOLECULAR FORMULA: C19H19IN6O
MOLECULAR WEIGHT: 474.29823
SMILES: CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4I
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Product OPENEYE NAME: tert-butyl (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Name: (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R,3S,4R)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H28F7NO4
MOLECULAR WEIGHT: 551.493642
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN([C@H]([C@@H]2C3=CC=C(C=C3)F)CO)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 2-[6-(benzylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide
CAS Name: N-methyl-2-[6-[(phenylmethyl)amino]-9-purinyl]-1-cyclopent-3-enecarboxamide
IUPAC NAME: 2-[6-(benzylamino)purin-9-yl]-N-methylcyclopent-3-ene-1-carboxamide
SYSTEMATIC NAME: N-methyl-2-[6-[(phenylmethyl)amino]purin-9-yl]cyclopent-3-ene-1-carboxamide
MOLECULAR FORMULA: C19H20N6O
MOLECULAR WEIGHT: 348.4017
SMILES: CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetate
CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetate
SYSTEMATIC NAME: ethyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoate
MOLECULAR FORMULA: C28H32ClN3O5S
MOLECULAR WEIGHT: 558.08878
SMILES: CCOC(=O)CN(CCCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=NC=C4
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Product OPENEYE NAME: 2-(3-chlorophenyl)-1,3-bis(p-tolylmethyl)imidazolidine
CAS Name: 2-(3-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
IUPAC NAME: 2-(3-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(3-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
MOLECULAR FORMULA: C25H27ClN2
MOLECULAR WEIGHT: 390.94828
SMILES: CC1=CC=C(C=C1)CN2CCN(C2C3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)C
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Product OPENEYE NAME: ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl]oxy]acetate
CAS Name: 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl]oxy]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl]oxy]acetate
SYSTEMATIC NAME: ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl]oxy]ethanoate
MOLECULAR FORMULA: C24H30ClNO4
MOLECULAR WEIGHT: 431.9523
SMILES: CCOC(=O)COC1=CC2=C(CCC[C@@H](CC2)NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C1
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