3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid

Systemtic Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid Openeye Name: 3-(6-thioxo-3H-purin-9-yl)propanoic acid CAS Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid IUPAC Name: 3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid Traditional Name: 3-(6-thioxo-3H-purin-9-yl)propionic acid Formula: C8H8N4O2S MolecularWeight: 224.23972

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CCC(=O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CCC(=O)O

InChI

InChI=1S/C8H8N4O2S/c13-5(14)1-2-12-4-11-6-7(12)9-3-10-8(6)15/h3-4H,1-2H2,(H,13,14)(H,9,10,15)