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

Systemtic Name: (2S)-3-methyl-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)butanoic acid Openeye Name: (2S)-3-methyl-2-(4-oxo-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)butanoic acid CAS Name: (2S)-3-methyl-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)butanoic acid IUPAC Name: (2S)-3-methyl-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)butanoic acid Traditional Name: (2S)-2-(4-keto-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)-3-methyl-butyric acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-6(2)9(11(17)18)15-10(16)8-7(14-12(15)19)4-3-5-13-8/h3-6,9H,1-2H3,(H,14,19)(H,17,18)/t9-/m0/s1