9-[1,3-bis(oxidanyl)propan-2-yl]-3H-purine-6-thione

Systemtic Name: 9-[1,3-bis(oxidanyl)propan-2-yl]-3H-purine-6-thione Openeye Name: 9-[2-hydroxy-1-(hydroxymethyl)ethyl]-3H-purine-6-thione CAS Name: 9-(1,3-dihydroxypropan-2-yl)-3H-purine-6-thione IUPAC Name: 9-(1,3-dihydroxypropan-2-yl)-3H-purine-6-thione Traditional Name: 9-(2-hydroxy-1-methylol-ethyl)-3H-purine-6-thione Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)C(CO)CO

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)C(CO)CO

InChI

InChI=1S/C8H10N4O2S/c13-1-5(2-14)12-4-11-6-7(12)9-3-10-8(6)15/h3-5,13-14H,1-2H2,(H,9,10,15)