2-[(2,6-dimethylphenyl)amino]-9,10-dimethoxy-7H-pyrimido[6,1-a]isoquinoline-4,6-dione

Systemtic Name: 2-[(2,6-dimethylphenyl)amino]-9,10-dimethoxy-7H-pyrimido[6,1-a]isoquinoline-4,6-dione Openeye Name: 2-(2,6-dimethylanilino)-9,10-dimethoxy-7H-pyrimido[6,1-a]isoquinoline-4,6-dione CAS Name: 2-(2,6-dimethylanilino)-9,10-dimethoxy-7H-pyrimido[6,1-a]isoquinoline-4,6-dione IUPAC Name: 2-(2,6-dimethylanilino)-9,10-dimethoxy-7H-pyrimido[6,1-a]isoquinoline-4,6-dione Traditional Name: 2-(2,6-dimethylanilino)-9,10-dimethoxy-7H-pyrimid[6,1-a]isoquinoline-4,6-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC(=O)N3C(=O)CC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC(=O)N3C(=O)CC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C22H21N3O4/c1-12-6-5-7-13(2)21(12)23-19-11-16-15-10-18(29-4)17(28-3)8-14(15)9-20(26)25(16)22(27)24-19/h5-8,10-11H,9H2,1-4H3,(H,23,24,27)