3-[(E)-(6-oxidanylidene-5,9-dihydropurin-8-yl)diazenyl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-(6-oxidanylidene-5,9-dihydropurin-8-yl)diazenyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-(6-oxo-5,9-dihydropurin-8-yl)azo]sulfanylpropanoic acid CAS Name: 3-[[(E)-(6-oxo-5,9-dihydropurin-8-yl)azo]thio]propanoic acid IUPAC Name: 3-[(E)-(6-oxo-5,9-dihydropurin-8-yl)diazenyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-(6-keto-5,9-dihydropurin-8-yl)azo]thio]propionic acid Formula: C8H8N6O3S MolecularWeight: 268.25252

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2C(=N1)NC(=N2)N=NSCCC(=O)O

Isomeric SMILES

C1=NC(=O)C2C(=N1)NC(=N2)/N=N/SCCC(=O)O

InChI

InChI=1S/C8H8N6O3S/c15-4(16)1-2-18-14-13-8-11-5-6(12-8)9-3-10-7(5)17/h3,5H,1-2H2,(H,15,16)(H,9,10,11,12,17)/b14-13+