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

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)methyl]-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-[[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-[[4-(cyclopentanecarbonyl)-3-methyl-piperazino]methyl]-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H37ClN4O4 MolecularWeight: 517.06008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClN4O4/c1-4-31-22(17-30-14-15-32(18(3)16-30)25(33)20-8-6-7-9-20)23(26(34)36-5-2)24(29-27(31)35)19-10-12-21(28)13-11-19/h10-13,18,20,24H,4-9,14-17H2,1-3H3,(H,29,35)