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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-hydroxy-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-benzyl-4-hydroxy-2-(4-piperonylpiperazino)-1H-pyrimidin-6-one Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=C(C(=O)N4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=C(C(=O)N4)CC5=CC=CC=C5)O

InChI

InChI=1S/C23H24N4O4/c28-21-18(12-16-4-2-1-3-5-16)22(29)25-23(24-21)27-10-8-26(9-11-27)14-17-6-7-19-20(13-17)31-15-30-19/h1-7,13H,8-12,14-15H2,(H2,24,25,28,29)