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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-oxidanylidene-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methylphenyl)-2-oxo-6-[(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(4-phenylpiperazino)methyl]-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-3-32-24(30)22-21(26-25(31)27-23(22)19-11-9-18(2)10-12-19)17-28-13-15-29(16-14-28)20-7-5-4-6-8-20/h4-12,23H,3,13-17H2,1-2H3,(H2,26,27,31)