2-[(5-chloranyl-2-methyl-phenyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(5-chloro-2-methyl-anilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(5-chloro-2-methylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(5-chloro-2-methylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(5-chloro-2-methyl-anilino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C21H20ClN3O3/c1-12-4-5-14(22)9-16(12)23-20-11-17-15-10-19(28-3)18(27-2)8-13(15)6-7-25(17)21(26)24-20/h4-5,8-11H,6-7H2,1-3H3,(H,23,24,26)