ethyl 4-[(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclopentanecarbonyl)-3-methyl-piperazino]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H42N4O6 MolecularWeight: 542.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=C(C(=CC=C2)OC)OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4CCCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C(=CC=C2)OC)OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4CCCC4

InChI

InChI=1S/C29H42N4O6/c1-6-32-22(18-31-15-16-33(19(3)17-31)27(34)20-11-8-9-12-20)24(28(35)39-7-2)25(30-29(32)36)21-13-10-14-23(37-4)26(21)38-5/h10,13-14,19-20,25H,6-9,11-12,15-18H2,1-5H3,(H,30,36)