3-(7H-purin-6-ylsulfanyl)propane-1,2-diol

Systemtic Name: 3-(7H-purin-6-ylsulfanyl)propane-1,2-diol Openeye Name: 3-(7H-purin-6-ylsulfanyl)propane-1,2-diol CAS Name: 3-(7H-purin-6-ylthio)propane-1,2-diol IUPAC Name: 3-(7H-purin-6-ylsulfanyl)propane-1,2-diol Traditional Name: 3-(7H-purin-6-ylthio)propane-1,2-diol Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCC(CO)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCC(CO)O

InChI

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