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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrimidin-6-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrimidin-6-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1H-pyrimidin-6-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1H-pyrimidin-6-one Traditional Name: 2-(4-piperonylpiperazino)-1H-pyrimidin-6-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c21-15-3-4-17-16(18-15)20-7-5-19(6-8-20)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2,(H,17,18,21)