2-[(3,4-dimethoxyphenyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(3,4-dimethoxyanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(3,4-dimethoxyanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(3,4-dimethoxyanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(3,4-dimethoxyanilino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC)OC

InChI

InChI=1S/C22H23N3O5/c1-27-17-6-5-14(10-19(17)29-3)23-21-12-16-15-11-20(30-4)18(28-2)9-13(15)7-8-25(16)22(26)24-21/h5-6,9-12H,7-8H2,1-4H3,(H,23,24,26)