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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-6-(4-methoxyphenyl)pyrimidin-4-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-6-(4-methoxyphenyl)pyrimidin-4-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-4-pyrimidinone IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-methoxyphenyl)pyrimidin-4-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-6-(4-methoxyphenyl)pyrimidin-4-one Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O5/c1-25-15-5-2-13(3-6-15)16-9-20(24)22(11-21-16)10-17(23)14-4-7-18-19(8-14)27-12-26-18/h2-9,11H,10,12H2,1H3