9-[1,3-bis(oxidanyl)propyl]-3H-purine-6-thione hydrochloride

Systemtic Name: 9-[1,3-bis(oxidanyl)propyl]-3H-purine-6-thione hydrochloride Openeye Name: 9-(1,3-dihydroxypropyl)-3H-purine-6-thione hydrochloride CAS Name: 9-(1,3-dihydroxypropyl)-3H-purine-6-thione hydrochloride IUPAC Name: 9-(1,3-dihydroxypropyl)-3H-purine-6-thione hydrochloride Traditional Name: 9-(1,3-dihydroxypropyl)-3H-purine-6-thione hydrochloride Formula: C8H11ClN4O2S MolecularWeight: 262.71654

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)C(CCO)O.Cl

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)C(CCO)O.Cl

InChI

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