ethyl 4-(3-methylphenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-methylphenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(m-tolyl)-6-oxo-2-[4-(2-pyridyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-methylphenyl)-6-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylphenyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-4-(m-tolyl)-2-[4-(2-pyridyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC(=CC=C4)C

InChI

InChI=1S/C23H27N5O3/c1-3-31-22(30)19-20(17-8-6-7-16(2)15-17)25-23(26-21(19)29)28-13-11-27(12-14-28)18-9-4-5-10-24-18/h4-10,15,19-20H,3,11-14H2,1-2H3,(H,25,26,29)