Thursday, February 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [amino-[(2-pyrrolidin-1-yl-4,5-dihydrothiazol-5-yl)methylsulfanyl]methylene]ammonium
CAS Name: [amino-[[2-(1-pyrrolidinyl)-4,5-dihydrothiazol-5-yl]methylthio]methylidene]ammonium
IUPAC NAME: [amino-[(2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]methylidene]azanium
SYSTEMATIC NAME: [azanyl-[(2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]methylidene]azanium
MOLECULAR FORMULA: C9H17N4S2+
MOLECULAR WEIGHT: 245.38808
SMILES: C1CCN(C1)C2=NCC(S2)CSC(=[NH2+])N
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Product OPENEYE NAME: 2-[(2-pyrrolidin-1-yl-4,5-dihydrothiazol-5-yl)methyl]isothiourea
CAS Name: carbamimidothioic acid [2-(1-pyrrolidinyl)-4,5-dihydrothiazol-5-yl]methyl ester
IUPAC NAME: (2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazol-5-yl)methyl carbamimidothioate
SYSTEMATIC NAME: (2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazol-5-yl)methyl carbamimidothioate
MOLECULAR FORMULA: C9H16N4S2
MOLECULAR WEIGHT: 244.38014
SMILES: C1CCN(C1)C2=NCC(S2)CSC(=N)N
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Product OPENEYE NAME: 2-methoxy-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]acetamide
CAS Name: 2-methoxy-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]acetamide
IUPAC NAME: 2-methoxy-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]acetamide
SYSTEMATIC NAME: 2-methoxy-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]ethanamide
MOLECULAR FORMULA: C15H22N3O2+
MOLECULAR WEIGHT: 276.35408
SMILES: CCC[N+]1=C(NC2=CC=CC=C21)C(C)NC(=O)COC
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Product OPENEYE NAME: [2-azaniumyl-5-[(1,3-dioxoisoindolin-2-yl)methyl]-1,3-oxathiolan-2-yl]ammonium
CAS Name: [2-ammonio-5-[(1,3-dioxo-2-isoindolyl)methyl]-1,3-oxathiolan-2-yl]ammonium
IUPAC NAME: [2-azaniumyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-oxathiolan-2-yl]azanium
SYSTEMATIC NAME: [2-azaniumyl-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,3-oxathiolan-2-yl]azanium
MOLECULAR FORMULA: C12H15N3O3S+2
MOLECULAR WEIGHT: 281.3308
SMILES: C1C(OC(S1)([NH3+])[NH3+])CN2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-[methoxy(phenyl)phosphoryl]acetate
CAS Name: 2-[methoxy(phenyl)phosphoryl]acetate
IUPAC NAME: 2-[methoxy(phenyl)phosphoryl]acetate
SYSTEMATIC NAME: 2-[methoxy(phenyl)phosphoryl]ethanoate
MOLECULAR FORMULA: C9H10O4P-
MOLECULAR WEIGHT: 213.147061
SMILES: COP(=O)(CC(=O)[O-])C1=CC=CC=C1
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Product OPENEYE NAME: 4-fluoro-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]benzamide
CAS Name: 4-fluoro-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]benzamide
IUPAC NAME: 4-fluoro-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-[1-(3-propyl-1H-benzimidazol-3-ium-2-yl)ethyl]benzamide
MOLECULAR FORMULA: C19H21FN3O+
MOLECULAR WEIGHT: 326.387943
SMILES: CCC[N+]1=C(NC2=CC=CC=C21)C(C)NC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 4-chloro-N-[2-[[4-[2-[[4-(diethylamino)-1-methyl-butyl]amino]-2-oxo-ethyl]thiazol-2-yl]amino]-2-oxo-ethyl]-N-isobutyl-benzamide
CAS Name: 4-chloro-N-[2-[[4-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]-2-thiazolyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
IUPAC NAME: 4-chloro-N-[2-[[4-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[[4-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)benzamide
MOLECULAR FORMULA: C27H40ClN5O3S
MOLECULAR WEIGHT: 550.1562
SMILES: CCN(CC)CCCC(C)NC(=O)CC1=CSC(=N1)NC(=O)CN(CC(C)C)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3,4-dichloro-N-[2-[[4-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]thiazol-2-yl]amino]-2-oxo-ethyl]-N-propyl-benzamide
CAS Name: 3,4-dichloro-N-[2-[[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-thiazolyl]amino]-2-oxoethyl]-N-propylbenzamide
IUPAC NAME: 3,4-dichloro-N-[2-[[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propylbenzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-[2-[[4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide
MOLECULAR FORMULA: C24H23Cl2FN4O3S
MOLECULAR WEIGHT: 537.433823
SMILES: CCCN(CC(=O)NC1=NC(=CS1)CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-hexyl-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CAS Name: N-hexyl-1-[(2-methyl-3-furanyl)-oxomethyl]-3-piperidinecarboxamide
IUPAC NAME: N-hexyl-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
SYSTEMATIC NAME: N-hexyl-1-(2-methylfuran-3-yl)carbonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C18H28N2O3
MOLECULAR WEIGHT: 320.42652
SMILES: CCCCCCNC(=O)C1CCCN(C1)C(=O)C2=C(OC=C2)C
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Product OPENEYE NAME: N-benzhydryl-2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]thiazole-4-carboxamide
CAS Name: N-(diphenylmethyl)-2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-4-thiazolecarboxamide
IUPAC NAME: N-benzhydryl-2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-(diphenylmethyl)-2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C35H31FN4OS
MOLECULAR WEIGHT: 574.710243
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CSC(=N3)CN(CCC4=CNC5=CC=CC=C54)CC6=CC=C(C=C6)F
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Product OPENEYE NAME: N-(2-methoxyethyl)-4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridylmethylamino)ethyl]thiazol-2-yl]amino]ethyl]benzamide
CAS Name: N-(2-methoxyethyl)-4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-2-thiazolyl]amino]ethyl]benzamide
IUPAC NAME: N-(2-methoxyethyl)-4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-4-methyl-N-[2-oxidanylidene-2-[[4-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
MOLECULAR FORMULA: C24H27N5O4S
MOLECULAR WEIGHT: 481.56728
SMILES: CC1=CC=C(C=C1)C(=O)N(CCOC)CC(=O)NC2=NC(=CS2)CC(=O)NCC3=CC=CC=N3
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Product OPENEYE NAME: 3-cyclopentyl-1-[2-(3-phenoxyphenyl)thiazolidin-3-yl]propan-1-one
CAS Name: 3-cyclopentyl-1-[2-(3-phenoxyphenyl)-3-thiazolidinyl]-1-propanone
IUPAC NAME: 3-cyclopentyl-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SYSTEMATIC NAME: 3-cyclopentyl-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
MOLECULAR FORMULA: C23H27NO2S
MOLECULAR WEIGHT: 381.53098
SMILES: C1CCC(C1)CCC(=O)N2CCSC2C3=CC(=CC=C3)OC4=CC=CC=C4
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Product OPENEYE NAME: 2-[cyclopropyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
CAS Name: 2-[cyclopropyl-[(4-ethoxyanilino)-oxomethyl]amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: 2-[cyclopropyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[cyclopropyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C26H28FN3O3S
MOLECULAR WEIGHT: 481.582223
SMILES: CCOC1=CC=C(C=C1)NC(=O)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C4CC4
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