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

Systemtic Name: ethyl 3-methyl-6-(3-methylphenyl)-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-(3-methylphenyl)-2-oxo-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzylpiperazino)methyl]-2-keto-3-methyl-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3/c1-4-34-26(32)24-23(29(3)27(33)28-25(24)22-12-8-9-20(2)17-22)19-31-15-13-30(14-16-31)18-21-10-6-5-7-11-21/h5-12,17,25H,4,13-16,18-19H2,1-3H3,(H,28,33)