9-[2-(6-sulfanidylpurin-9-yl)ethyl]purine-6-thiolate

Systemtic Name: 9-[2-(6-sulfanidylpurin-9-yl)ethyl]purine-6-thiolate Openeye Name: 9-[2-(6-sulfidopurin-9-yl)ethyl]purine-6-thiolate CAS Name: 9-[2-(6-sulfido-9-purinyl)ethyl]-6-purinethiolate IUPAC Name: 9-[2-(6-sulfidopurin-9-yl)ethyl]purine-6-thiolate Traditional Name: 9-[2-(6-sulfidopurin-9-yl)ethyl]purine-6-thiolate Formula: C12H8N8S2-2 MolecularWeight: 328.37552

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)[S-])N=CN2CCN3C=NC4=C3N=CN=C4[S-]

Isomeric SMILES

C1=NC2=C(C(=N1)[S-])N=CN2CCN3C=NC4=C3N=CN=C4[S-]

InChI

InChI=1S/C12H10N8S2/c21-11-7-9(13-3-15-11)19(5-17-7)1-2-20-6-18-8-10(20)14-4-16-12(8)22/h3-6H,1-2H2,(H,13,15,21)(H,14,16,22)/p-2