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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-[[3-methyl-4-(m-tolyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[[3-methyl-4-(m-tolyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(C(C3)C)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(C(C3)C)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H34N4O4/c1-5-35-26(32)24-23(28-27(33)29-25(24)20-9-11-22(34-4)12-10-20)17-30-13-14-31(19(3)16-30)21-8-6-7-18(2)15-21/h6-12,15,19,25H,5,13-14,16-17H2,1-4H3,(H2,28,29,33)