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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-butyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-butyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-butyl-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-butyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-butyl-4-hydroxy-2-(4-piperonylpiperazino)-1H-pyrimidin-6-one Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H26N4O4/c1-2-3-4-15-18(25)21-20(22-19(15)26)24-9-7-23(8-10-24)12-14-5-6-16-17(11-14)28-13-27-16/h5-6,11H,2-4,7-10,12-13H2,1H3,(H2,21,22,25,26)