7-[1,4-bis(oxidanyl)butan-2-yl]-3H-purine-6-thione

Systemtic Name: 7-[1,4-bis(oxidanyl)butan-2-yl]-3H-purine-6-thione Openeye Name: 7-[3-hydroxy-1-(hydroxymethyl)propyl]-3H-purine-6-thione CAS Name: 7-(1,4-dihydroxybutan-2-yl)-3H-purine-6-thione IUPAC Name: 7-(1,4-dihydroxybutan-2-yl)-3H-purine-6-thione Traditional Name: 7-(3-hydroxy-1-methylol-propyl)-3H-purine-6-thione Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N=CN2C(CCO)CO

Isomeric SMILES

C1=NC(=S)C2=C(N1)N=CN2C(CCO)CO

InChI

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