2-[(6-methylsulfanyl-7H-purin-8-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(6-methylsulfanyl-7H-purin-8-yl)sulfanyl]ethanoate Openeye Name: 2-[(6-methylsulfanyl-7H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[[6-(methylthio)-7H-purin-8-yl]thio]acetate IUPAC Name: 2-[(6-methylsulfanyl-7H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[[6-(methylthio)-7H-purin-8-yl]thio]acetate Formula: C8H7N4O2S2- MolecularWeight: 255.29678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1NC(=N2)SCC(=O)[O-]

Isomeric SMILES

CSC1=NC=NC2=C1NC(=N2)SCC(=O)[O-]

InChI

InChI=1S/C8H8N4O2S2/c1-15-7-5-6(9-3-10-7)12-8(11-5)16-2-4(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,11,12)/p-1