6-azanyl-2-(2-methoxyethoxy)-9-[[3-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-methoxyethoxy)-9-[[3-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(2-oxo-1-pyridyl)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-9-[3-[(2-keto-1-pyridyl)methyl]benzyl]-2-(2-methoxyethoxy)-7H-purin-8-one Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CN4C=CC=CC4=O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CN4C=CC=CC4=O

InChI

InChI=1S/C21H22N6O4/c1-30-9-10-31-20-24-18(22)17-19(25-20)27(21(29)23-17)13-15-6-4-5-14(11-15)12-26-8-3-2-7-16(26)28/h2-8,11H,9-10,12-13H2,1H3,(H,23,29)(H2,22,24,25)