Monday, April 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[[4-(2-methoxy-1-methyl-2-oxo-ethoxy)-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
CAS Name: 2-[[[[4-(1-methoxy-1-oxopropan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[4-(1-methoxy-1-oxopropan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
SYSTEMATIC NAME: methyl 2-[[4-(1-methoxy-1-oxidanylidene-propan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
MOLECULAR FORMULA: C17H19N5O8S
MOLECULAR WEIGHT: 453.42646
SMILES: CC1=NC(=NC(=N1)OC(C)C(=O)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: 2-[[4-[(2-methoxycarbonylphenyl)sulfonylcarbamoylamino]-6-methyl-1,3,5-triazin-2-yl]oxy]propanoic acid
CAS Name: 2-[[4-[[[(2-methoxycarbonylphenyl)sulfonylamino]-oxomethyl]amino]-6-methyl-1,3,5-triazin-2-yl]oxy]propanoic acid
IUPAC NAME: 2-[[4-[(2-methoxycarbonylphenyl)sulfonylcarbamoylamino]-6-methyl-1,3,5-triazin-2-yl]oxy]propanoic acid
SYSTEMATIC NAME: 2-[[4-[(2-methoxycarbonylphenyl)sulfonylcarbamoylamino]-6-methyl-1,3,5-triazin-2-yl]oxy]propanoic acid
MOLECULAR FORMULA: C16H17N5O8S
MOLECULAR WEIGHT: 439.39988
SMILES: CC1=NC(=NC(=N1)OC(C)C(=O)O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: 6-amino-1,3-dimethyl-hexahydropyrimidine-2,4-dione
CAS Name: 6-amino-1,3-dimethyl-1,3-diazinane-2,4-dione
IUPAC NAME: 6-amino-1,3-dimethyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1,3-dimethyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C6H11N3O2
MOLECULAR WEIGHT: 157.17044
SMILES: CN1C(CC(=O)N(C1=O)C)N
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Product OPENEYE NAME: methyl 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester
IUPAC NAME: methyl 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-bis(oxidanylidene)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C18H18ClN3O4
MOLECULAR WEIGHT: 375.80622
SMILES: CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC(=CC=C3)Cl)C(=O)OC
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Product OPENEYE NAME: 2-[benzyl(methyl)amino]ethyl 5-(2-furyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 5-(2-furanyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester
IUPAC NAME: 2-[benzyl(methyl)amino]ethyl 5-(furan-2-yl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: 2-[methyl-(phenylmethyl)amino]ethyl 5-(furan-2-yl)-1,3,7-trimethyl-2,4-bis(oxidanylidene)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C25H28N4O5
MOLECULAR WEIGHT: 464.51362
SMILES: CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=CO3)C(=O)OCCN(C)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[benzyl(methyl)amino]ethyl 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester
IUPAC NAME: 2-[benzyl(methyl)amino]ethyl 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: 2-[methyl-(phenylmethyl)amino]ethyl 5-(3-chlorophenyl)-1,3,7-trimethyl-2,4-bis(oxidanylidene)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C27H29ClN4O4
MOLECULAR WEIGHT: 508.99656
SMILES: CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC(=CC=C3)Cl)C(=O)OCCN(C)CC4=CC=CC=C4
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Product OPENEYE NAME: N-propyl-N'-(2,4,6-trichlorophenyl)ethane-1,2-diamine
CAS Name: N-propyl-N'-(2,4,6-trichlorophenyl)ethane-1,2-diamine
IUPAC NAME: N-propyl-N'-(2,4,6-trichlorophenyl)ethane-1,2-diamine
SYSTEMATIC NAME: N-propyl-N'-[2,4,6-tris(chloranyl)phenyl]ethane-1,2-diamine
MOLECULAR FORMULA: C11H15Cl3N2
MOLECULAR WEIGHT: 281.6092
SMILES: CCCNCCNC1=C(C=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: diethyl 2-[(2-methyl-4-phenyl-oxazol-5-yl)methyl]propanedioate
CAS Name: 2-[(2-methyl-4-phenyl-5-oxazolyl)methyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[(2-methyl-4-phenyl-1,3-oxazol-5-yl)methyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[(2-methyl-4-phenyl-1,3-oxazol-5-yl)methyl]propanedioate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CCOC(=O)C(CC1=C(N=C(O1)C)C2=CC=CC=C2)C(=O)OCC
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Product OPENEYE NAME: 2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]oxazole
CAS Name: 2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]oxazole
IUPAC NAME: 2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SYSTEMATIC NAME: 2,5-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazole
MOLECULAR FORMULA: C12H10F3NO
MOLECULAR WEIGHT: 241.20911
SMILES: CC1=C(N=C(O1)C)C2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: 2-chloro-3-[4-(4-chlorophenyl)-2-methyl-oxazol-5-yl]propanoic acid
CAS Name: 2-chloro-3-[4-(4-chlorophenyl)-2-methyl-5-oxazolyl]propanoic acid
IUPAC NAME: 2-chloro-3-[4-(4-chlorophenyl)-2-methyl-1,3-oxazol-5-yl]propanoic acid
SYSTEMATIC NAME: 2-chloranyl-3-[4-(4-chlorophenyl)-2-methyl-1,3-oxazol-5-yl]propanoic acid
MOLECULAR FORMULA: C13H11Cl2NO3
MOLECULAR WEIGHT: 300.13734
SMILES: CC1=NC(=C(O1)CC(C(=O)O)Cl)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-chloro-3-[2-methyl-4-[2-(trifluoromethyl)phenyl]oxazol-5-yl]propanoic acid
CAS Name: 2-chloro-3-[2-methyl-4-[2-(trifluoromethyl)phenyl]-5-oxazolyl]propanoic acid
IUPAC NAME: 2-chloro-3-[2-methyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
SYSTEMATIC NAME: 2-chloranyl-3-[2-methyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
MOLECULAR FORMULA: C14H11ClF3NO3
MOLECULAR WEIGHT: 333.69025
SMILES: CC1=NC(=C(O1)CC(C(=O)O)Cl)C2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: 4-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxybutanamide
CAS Name: 4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]butanamide
IUPAC NAME: 4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]butanamide
SYSTEMATIC NAME: 4-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]butanamide
MOLECULAR FORMULA: C19H23Cl2NO3
MOLECULAR WEIGHT: 384.29682
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)N)C3CCCC3
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Product OPENEYE NAME: 4-[2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxyethyl]-5-hydroxy-1H-pyrrole-2,3-dione
CAS Name: 4-[2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]ethyl]-5-hydroxy-1H-pyrrole-2,3-dione
IUPAC NAME: 4-[2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]ethyl]-5-hydroxy-1H-pyrrole-2,3-dione
SYSTEMATIC NAME: 4-[2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]ethyl]-5-oxidanyl-1H-pyrrole-2,3-dione
MOLECULAR FORMULA: C21H21Cl2NO5
MOLECULAR WEIGHT: 438.30114
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCC3=C(NC(=O)C3=O)O)C4CCCC4
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Product OPENEYE NAME: 4-(6,7-dichloro-2-cyclopentyl-1-hydroxy-2-methyl-indan-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione
CAS Name: 4-(6,7-dichloro-2-cyclopentyl-1-hydroxy-2-methyl-1,3-dihydroinden-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione
IUPAC NAME: 4-(6,7-dichloro-2-cyclopentyl-1-hydroxy-2-methyl-1,3-dihydroinden-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione
SYSTEMATIC NAME: 4-[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanyl-1,3-dihydroinden-5-yl]-5-oxidanyl-1H-pyrrole-2,3-dione
MOLECULAR FORMULA: C19H19Cl2NO4
MOLECULAR WEIGHT: 396.26446
SMILES: CC1(CC2=C(C1O)C(=C(C(=C2)C3=C(NC(=O)C3=O)O)Cl)Cl)C4CCCC4
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Product OPENEYE NAME: 4-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxy-5-hydroxy-1H-pyrrole-2,3-dione
CAS Name: 4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]-5-hydroxy-1H-pyrrole-2,3-dione
IUPAC NAME: 4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]-5-hydroxy-1H-pyrrole-2,3-dione
SYSTEMATIC NAME: 4-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]-5-oxidanyl-1H-pyrrole-2,3-dione
MOLECULAR FORMULA: C19H17Cl2NO5
MOLECULAR WEIGHT: 410.24798
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OC3=C(NC(=O)C3=O)O)C4CCCC4
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Product OPENEYE NAME: 4-[2-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxyethyl]-5-hydroxy-1H-pyrrole-2,3-dione; 1-methylpiperazine
CAS Name: 4-[2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]ethyl]-5-hydroxy-1H-pyrrole-2,3-dione; 1-methylpiperazine
IUPAC NAME: 4-[2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]ethyl]-5-hydroxy-1H-pyrrole-2,3-dione; 1-methylpiperazine
SYSTEMATIC NAME: 4-[2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]ethyl]-5-oxidanyl-1H-pyrrole-2,3-dione; 1-methylpiperazine
MOLECULAR FORMULA: C26H33Cl2N3O5
MOLECULAR WEIGHT: 538.46332
SMILES: CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCC3=C(NC(=O)C3=O)O)C4CCCC4.CN1CCNCC1
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Product OPENEYE NAME: 4-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-indan-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione
CAS Name: 4-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione
IUPAC NAME: 4-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione
SYSTEMATIC NAME: 4-[6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-2-phenyl-3H-inden-5-yl]-5-oxidanyl-1H-pyrrole-2,3-dione
MOLECULAR FORMULA: C20H13Cl2NO4
MOLECULAR WEIGHT: 402.22752
SMILES: CC1(CC2=C(C1=O)C(=C(C(=C2)C3=C(NC(=O)C3=O)O)Cl)Cl)C4=CC=CC=C4
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