2-[[2,6-bis(azanyl)-7H-purin-8-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[2,6-bis(azanyl)-7H-purin-8-yl]sulfanyl]ethanoate Openeye Name: 2-[(2,6-diamino-7H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[(2,6-diamino-7H-purin-8-yl)thio]acetate IUPAC Name: 2-[(2,6-diamino-7H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[(2,6-diamino-7H-purin-8-yl)thio]acetate Formula: C7H7N6O2S- MolecularWeight: 239.23448

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])SC1=NC2=C(N1)C(=NC(=N2)N)N

Isomeric SMILES

C(C(=O)[O-])SC1=NC2=C(N1)C(=NC(=N2)N)N

InChI

InChI=1S/C7H8N6O2S/c8-4-3-5(12-6(9)11-4)13-7(10-3)16-1-2(14)15/h1H2,(H,14,15)(H5,8,9,10,11,12,13)/p-1