2-(1,3-benzodioxol-5-yloxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(1,3-benzodioxol-5-yloxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)OC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)OC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C21H18N2O6/c1-25-17-7-12-5-6-23-15(14(12)9-18(17)26-2)10-20(22-21(23)24)29-13-3-4-16-19(8-13)28-11-27-16/h3-4,7-10H,5-6,11H2,1-2H3