5-[2-(hydroxymethyl)phenyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 5-[2-(hydroxymethyl)phenyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 5-[2-(hydroxymethyl)phenyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 5-[2-(hydroxymethyl)phenyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 5-[2-(hydroxymethyl)phenyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-5-(2-methylolphenyl)-1H-quinazolin-4-one Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)C5=CC=CC=C5CO)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)C5=CC=CC=C5CO)OC

InChI

InChI=1S/C26H23N3O4/c1-32-21-13-20-23(22(24(21)33-2)19-10-6-5-9-18(19)15-30)25(31)28-26(27-20)29-12-11-16-7-3-4-8-17(16)14-29/h3-13,30H,14-15H2,1-2H3,(H,27,28,31)