2-azanyl-9-[[2-[(2-oxidanyl-1,3-dioxan-2-yl)methyl]phenoxy]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[2-[(2-oxidanyl-1,3-dioxan-2-yl)methyl]phenoxy]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[2-[(2-hydroxy-1,3-dioxan-2-yl)methyl]phenoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[2-[(2-hydroxy-1,3-dioxan-2-yl)methyl]phenoxy]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[2-[(2-hydroxy-1,3-dioxan-2-yl)methyl]phenoxy]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[2-[(2-hydroxy-1,3-dioxan-2-yl)methyl]phenoxy]methyl]-3H-purin-6-one Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)(CC2=CC=CC=C2OCN3C=NC4=C3NC(=NC4=O)N)O

Isomeric SMILES

C1COC(OC1)(CC2=CC=CC=C2OCN3C=NC4=C3NC(=NC4=O)N)O

InChI

InChI=1S/C17H19N5O5/c18-16-20-14-13(15(23)21-16)19-9-22(14)10-25-12-5-2-1-4-11(12)8-17(24)26-6-3-7-27-17/h1-2,4-5,9,24H,3,6-8,10H2,(H3,18,20,21,23)