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

Systemtic Name: butyl 4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-4-5-12-33-24(29)16-6-8-18(9-7-16)26-23-15-20-19-14-22(32-3)21(31-2)13-17(19)10-11-28(20)25(30)27-23/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,26,27,30)