3-[(8-oxidanylidene-7,9-dihydropurin-6-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(8-oxidanylidene-7,9-dihydropurin-6-yl)sulfanyl]propanoic acid Openeye Name: 3-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]propanoic acid CAS Name: 3-[(8-oxo-7,9-dihydropurin-6-yl)thio]propanoic acid IUPAC Name: 3-[(8-oxo-7,9-dihydropurin-6-yl)sulfanyl]propanoic acid Traditional Name: 3-[(8-keto-7,9-dihydropurin-6-yl)thio]propionic acid Formula: C8H8N4O3S MolecularWeight: 240.23912

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)SCCC(=O)O)NC(=O)N2

Isomeric SMILES

C1=NC2=C(C(=N1)SCCC(=O)O)NC(=O)N2

InChI

InChI=1S/C8H8N4O3S/c13-4(14)1-2-16-7-5-6(9-3-10-7)12-8(15)11-5/h3H,1-2H2,(H,13,14)(H2,9,10,11,12,15)