2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]phenyl]methyl]-1,3-dioxan-2-olate

Systemtic Name: 2-[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]phenyl]methyl]-1,3-dioxan-2-olate Openeye Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]phenyl]methyl]-1,3-dioxan-2-olate CAS Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]phenyl]methyl]-1,3-dioxan-2-olate IUPAC Name: 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]phenyl]methyl]-1,3-dioxan-2-olate Traditional Name: 2-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]benzyl]-1,3-dioxan-2-olate Formula: C17H18N5O5- MolecularWeight: 372.35532

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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/C17H18N5O5/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/h1-2,4-5,9H,3,6-8,10H2,(H3,18,20,21,23)/q-1