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

Systemtic Name: 2-oxidanyl-3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid Openeye Name: 2-hydroxy-3-(6-thioxo-3H-purin-9-yl)propanoic acid CAS Name: 2-hydroxy-3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid IUPAC Name: 2-hydroxy-3-(6-sulfanylidene-3H-purin-9-yl)propanoic acid Traditional Name: 2-hydroxy-3-(6-thioxo-3H-purin-9-yl)propionic acid Formula: C8H8N4O3S MolecularWeight: 240.23912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N4O3S/c13-4(8(14)15)1-12-3-11-5-6(12)9-2-10-7(5)16/h2-4,13H,1H2,(H,14,15)(H,9,10,16)