9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-2-oxidanyl-3H-purine-1,9-diium-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-2-oxidanyl-3H-purine-1,9-diium-6-one Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-hydroxy-7-methyl-3H-purine-1,9-diium-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-hydroxy-7-methyl-3H-purine-1,9-diium-6-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxy-7-methyl-3H-purine-1,9-diium-6-one Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-hydroxy-7-methyl-3H-purine-1,9-diium-6-one Formula: C11H16N4O6+2 MolecularWeight: 300.26794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)[NH+]=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)/p+2