3-(4-oxidanylidene-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid Openeye Name: 3-(4-oxo-2-thioxo-1H-pteridin-3-yl)propanoic acid CAS Name: 3-(4-oxo-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid Traditional Name: 3-(4-keto-2-thioxo-1H-pteridin-3-yl)propionic acid Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)C(=O)N(C(=S)N2)CCC(=O)O

Isomeric SMILES

C1=CN=C2C(=N1)C(=O)N(C(=S)N2)CCC(=O)O

InChI

InChI=1S/C9H8N4O3S/c14-5(15)1-4-13-8(16)6-7(12-9(13)17)11-3-2-10-6/h2-3H,1,4H2,(H,14,15)(H,11,12,17)