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

Systemtic Name: ethyl 3-ethyl-6-(2-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-ethyl-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(2-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-ethyl-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzylpiperazino)methyl]-3-ethyl-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C)C(=O)OCC)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C)C(=O)OCC)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O3/c1-4-32-24(20-31-17-15-30(16-18-31)19-22-12-7-6-8-13-22)25(27(33)35-5-2)26(29-28(32)34)23-14-10-9-11-21(23)3/h6-14,26H,4-5,15-20H2,1-3H3,(H,29,34)