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

Systemtic Name: 6-azanyl-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Openeye Name: 6-amino-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one CAS Name: 6-amino-9-[[3-(1-azetidinylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one IUPAC Name: 6-amino-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one Traditional Name: 6-amino-9-[3-(azetidin-1-ylmethyl)benzyl]-2-(2-methoxyethoxy)-7H-purin-8-one Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC4

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC4

InChI

InChI=1S/C19H24N6O3/c1-27-8-9-28-18-22-16(20)15-17(23-18)25(19(26)21-15)12-14-5-2-4-13(10-14)11-24-6-3-7-24/h2,4-5,10H,3,6-9,11-12H2,1H3,(H,21,26)(H2,20,22,23)