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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-6-(4-ethoxyphenyl)pyrimidin-4-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-6-(4-ethoxyphenyl)pyrimidin-4-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-ethoxyphenyl)-4-pyrimidinone IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-ethoxyphenyl)pyrimidin-4-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-6-p-phenetyl-pyrimidin-4-one Formula: C21H18N2O5 MolecularWeight: 378.37802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5/c1-2-26-16-6-3-14(4-7-16)17-10-21(25)23(12-22-17)11-18(24)15-5-8-19-20(9-15)28-13-27-19/h3-10,12H,2,11,13H2,1H3