methyl 4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate Openeye Name: methyl 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate CAS Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate Traditional Name: 4-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C22H21N3O5/c1-28-18-10-14-8-9-25-17(16(14)11-19(18)29-2)12-20(24-22(25)27)23-15-6-4-13(5-7-15)21(26)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,24,27)