9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-6-oxidanylidene-3H-purin-9-ium-2-olate

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-6-oxidanylidene-3H-purin-9-ium-2-olate Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-6-oxo-3H-purin-9-ium-2-olate CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-methyl-6-oxo-3H-purin-9-ium-2-olate IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-3H-purin-9-ium-2-olate Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-keto-7-methyl-3H-purin-9-ium-2-olate Formula: C11H14N4O6 MolecularWeight: 298.25206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N=C(N2)[O-])C3C(C(C(O3)CO)O)O

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=C(N2)[O-])C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C11H14N4O6/c1-14-3-15(8-5(14)9(19)13-11(20)12-8)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H-,12,13,19,20)