2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-(o-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methylbenzyl)-2-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(NC(=NC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=CC=C1CC2=C(NC(=NC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H28N4O3/c1-17-5-3-4-6-20(17)14-21-18(2)26-25(27-24(21)30)29-11-9-28(10-12-29)15-19-7-8-22-23(13-19)32-16-31-22/h3-8,13H,9-12,14-16H2,1-2H3,(H,26,27,30)