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

Systemtic Name: ethyl 6-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-2-oxo-4-phenyl-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-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C25H29ClN4O3/c1-3-33-24(31)22-20(27-25(32)28-23(22)18-7-5-4-6-8-18)16-29-11-13-30(14-12-29)21-15-19(26)10-9-17(21)2/h4-10,15,23H,3,11-14,16H2,1-2H3,(H2,27,28,32)