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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-propyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-5-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-propyl-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-(4-piperonylpiperazino)-5-propyl-1H-pyrimidin-4-one Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H26N4O3/c1-3-4-16-14(2)21-20(22-19(16)25)24-9-7-23(8-10-24)12-15-5-6-17-18(11-15)27-13-26-17/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,21,22,25)