ethyl (4S,5S)-4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(4-chlorophenyl)-6-keto-2-(4-methylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23ClN4O3 MolecularWeight: 378.85322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O3/c1-3-26-17(25)14-15(12-4-6-13(19)7-5-12)20-18(21-16(14)24)23-10-8-22(2)9-11-23/h4-7,14-15H,3,8-11H2,1-2H3,(H,20,21,24)/t14-,15+/m0/s1