2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purine-8-sulfonic acid

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purine-8-sulfonic acid Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purine-8-sulfonic acid CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purine-8-sulfonic acid IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purine-8-sulfonic acid Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-keto-3H-purine-8-sulfonic acid Formula: C10H13N5O8S MolecularWeight: 363.30392

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2S(=O)(=O)O)O)O)O

Isomeric SMILES

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2S(=O)(=O)O)O)O)O

InChI

InChI=1S/C10H13N5O8S/c11-9-13-6-3(7(19)14-9)12-10(24(20,21)22)15(6)8-5(18)4(17)2(1-16)23-8/h2,4-5,8,16-18H,1H2,(H,20,21,22)(H3,11,13,14,19)