2-[(4-chloranyl-2,6-dimethyl-phenyl)amino]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-[(4-chloranyl-2,6-dimethyl-phenyl)amino]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(4-chloro-2,6-dimethyl-anilino)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(4-chloro-2,6-dimethylanilino)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(4-chloro-2,6-dimethylanilino)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(4-chloro-2,6-dimethyl-anilino)-9-methoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=O)N3CCC4=C(C3=C2)C=CC(=C4)OC)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=O)N3CCC4=C(C3=C2)C=CC(=C4)OC)C)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-12-8-15(22)9-13(2)20(12)23-19-11-18-17-5-4-16(27-3)10-14(17)6-7-25(18)21(26)24-19/h4-5,8-11H,6-7H2,1-3H3,(H,23,24,26)