ethyl 6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25ClN4O3 MolecularWeight: 392.8798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C19H25ClN4O3/c1-3-27-18(25)15-11-21-19(26)22-16(15)12-23-6-8-24(9-7-23)17-10-14(20)5-4-13(17)2/h4-5,10H,3,6-9,11-12H2,1-2H3,(H2,21,22,26)