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

Systemtic Name: (2S)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(4-oxo-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)-3-phenyl-propanoic acid CAS Name: (2S)-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)-3-phenylpropanoic acid IUPAC Name: (2S)-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)-3-phenylpropanoic acid Traditional Name: (2S)-2-(4-keto-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)-3-phenyl-propionic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=C(C=CC=N3)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=C(C=CC=N3)NC2=S

InChI

InChI=1S/C16H13N3O3S/c20-14-13-11(7-4-8-17-13)18-16(23)19(14)12(15(21)22)9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,23)(H,21,22)/t12-/m0/s1