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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 9,10-dimethoxy-2-(piperonylamino)-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C22H21N3O5/c1-27-18-8-14-5-6-25-16(15(14)9-19(18)28-2)10-21(24-22(25)26)23-11-13-3-4-17-20(7-13)30-12-29-17/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,23,24,26)