3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-fluorophenyl)-4-pyrimidinone IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one Formula: C19H13FN2O4 MolecularWeight: 352.315923

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H13FN2O4/c20-14-4-1-12(2-5-14)15-8-19(24)22(10-21-15)9-16(23)13-3-6-17-18(7-13)26-11-25-17/h1-8,10H,9,11H2