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

Systemtic Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 5-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-5-[(2-methylolpyrrolidino)methyl]-1H-quinazolin-4-one Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)CN5CCCC5CO)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)CN5CCCC5CO)OC

InChI

InChI=1S/C25H28N4O4/c1-32-21-12-20-22(19(23(21)33-2)14-28-10-5-8-18(28)15-30)24(31)27-25(26-20)29-11-9-16-6-3-4-7-17(16)13-29/h3-4,6-7,9,11-12,18,30H,5,8,10,13-15H2,1-2H3,(H,26,27,31)