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

Systemtic Name: 2-(4-oxidanylidene-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid Openeye Name: 2-(4-oxo-2-thioxo-1H-pteridin-3-yl)propanoic acid CAS Name: 2-(4-oxo-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid IUPAC Name: 2-(4-oxo-2-sulfanylidene-1H-pteridin-3-yl)propanoic acid Traditional Name: 2-(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:

CC(C(=O)O)N1C(=O)C2=NC=CN=C2NC1=S

Isomeric SMILES

CC(C(=O)O)N1C(=O)C2=NC=CN=C2NC1=S

InChI

InChI=1S/C9H8N4O3S/c1-4(8(15)16)13-7(14)5-6(12-9(13)17)11-3-2-10-5/h2-4H,1H3,(H,15,16)(H,11,12,17)