9,10-dimethoxy-2-[(phenylmethyl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 9,10-dimethoxy-2-[(phenylmethyl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(benzylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 9,10-dimethoxy-2-[(phenylmethyl)amino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(benzylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(benzylamino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-26-18-10-15-8-9-24-17(16(15)11-19(18)27-2)12-20(23-21(24)25)22-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,23,25)