ethyl 3-methyl-6-(2-methylphenyl)-2-oxidanylidene-4-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-6-(2-methylphenyl)-2-oxidanylidene-4-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzoylpiperazin-1-yl)methyl]-3-methyl-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-1-piperazinyl)methyl]-3-methyl-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoylpiperazin-1-yl)methyl]-3-methyl-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzoylpiperazino)methyl]-2-keto-3-methyl-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)C)CN3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)C)CN3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-4-35-26(33)23-22(29(3)27(34)28-24(23)21-13-9-8-10-19(21)2)18-30-14-16-31(17-15-30)25(32)20-11-6-5-7-12-20/h5-13,24H,4,14-18H2,1-3H3,(H,28,34)