2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(o-tolyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: 6-keto-N-(o-tolyl)-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CC(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2CC(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N5O4/c1-16-4-2-3-5-18(16)25-23(31)19-13-22(30)27-24(26-19)29-10-8-28(9-11-29)14-17-6-7-20-21(12-17)33-15-32-20/h2-7,12,19H,8-11,13-15H2,1H3,(H,25,31)(H,26,27,30)