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

Systemtic Name: ethyl 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(3-chlorobenzyl)piperazino]methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33ClN4O3 MolecularWeight: 497.02892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H33ClN4O3/c1-3-32-23(19-31-15-13-30(14-16-31)18-20-9-8-12-22(28)17-20)24(26(33)35-4-2)25(29-27(32)34)21-10-6-5-7-11-21/h5-12,17,25H,3-4,13-16,18-19H2,1-2H3,(H,29,34)