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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-(4-piperonylpiperazino)-1H-pyrimidin-6-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c21-14-8-15(22)18-16(17-14)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)24-10-23-12/h1-2,7-8H,3-6,9-10H2,(H2,17,18,21,22)