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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]-5-fluoranyl-1H-pyrimidin-6-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinyl]-5-fluoro-1H-pyrimidin-6-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]-5-fluoro-1H-pyrimidin-6-one Traditional Name: 5-fluoro-2-(3-keto-4-piperonyl-piperazino)-1H-pyrimidin-6-one Formula: C16H15FN4O4 MolecularWeight: 346.313103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=NC=C(C(=O)N2)F)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(=O)CN1C2=NC=C(C(=O)N2)F)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H15FN4O4/c17-11-6-18-16(19-15(11)23)21-4-3-20(14(22)8-21)7-10-1-2-12-13(5-10)25-9-24-12/h1-2,5-6H,3-4,7-9H2,(H,18,19,23)