ethyl (4S,5S)-6-oxidanylidene-4-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-6-oxidanylidene-4-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-6-oxo-4-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-2-(4-benzylpiperazino)-6-keto-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-2-31-23(30)20-21(19-11-7-4-8-12-19)25-24(26-22(20)29)28-15-13-27(14-16-28)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3,(H,25,26,29)/t20-,21+/m0/s1