(2S)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: (2S)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)propanoic acid Openeye Name: (2S)-2-(4-oxo-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)propanoic acid CAS Name: (2S)-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)propanoic acid IUPAC Name: (2S)-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)propanoic acid Traditional Name: (2S)-2-(4-keto-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)propionic acid Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C2=C(C=CC=N2)NC1=S

Isomeric SMILES

C[C@@H](C(=O)O)N1C(=O)C2=C(C=CC=N2)NC1=S

InChI

InChI=1S/C10H9N3O3S/c1-5(9(15)16)13-8(14)7-6(12-10(13)17)3-2-4-11-7/h2-5H,1H3,(H,12,17)(H,15,16)/t5-/m0/s1