9-[1,4-bis(oxidanyl)butan-2-yl]-3,9-dihydropurin-9-ium-6-thione chloride

Systemtic Name: 9-[1,4-bis(oxidanyl)butan-2-yl]-3,9-dihydropurin-9-ium-6-thione chloride Openeye Name: 9-[3-hydroxy-1-(hydroxymethyl)propyl]-3,9-dihydropurin-9-ium-6-thione chloride CAS Name: 9-(1,4-dihydroxybutan-2-yl)-3,9-dihydropurin-9-ium-6-thione chloride IUPAC Name: 9-(1,4-dihydroxybutan-2-yl)-3,9-dihydropurin-9-ium-6-thione chloride Traditional Name: 9-(3-hydroxy-1-methylol-propyl)-3,9-dihydropurin-9-ium-6-thione chloride Formula: C9H13ClN4O2S MolecularWeight: 276.74312

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)[NH+](C=N2)C(CCO)CO.[Cl-]

Isomeric SMILES

C1=NC(=S)C2=C(N1)[NH+](C=N2)C(CCO)CO.[Cl-]

InChI

InChI=1S/C9H12N4O2S.ClH/c14-2-1-6(3-15)13-5-12-7-8(13)10-4-11-9(7)16;/h4-6,14-15H,1-3H2,(H,10,11,16);1H