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

Systemtic Name: 2-[(2-tert-butyl-6-methyl-phenyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(2-tert-butyl-6-methyl-anilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-(2-tert-butyl-6-methylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(2-tert-butyl-6-methylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(2-tert-butyl-6-methyl-anilino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-15-8-7-9-18(25(2,3)4)23(15)26-22-14-19-17-13-21(31-6)20(30-5)12-16(17)10-11-28(19)24(29)27-22/h7-9,12-14H,10-11H2,1-6H3,(H,26,27,29)