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

Systemtic Name: (2S)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)hexanoic acid Openeye Name: (2S)-2-(4-oxo-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)hexanoic acid CAS Name: (2S)-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)hexanoic acid IUPAC Name: (2S)-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)hexanoic acid Traditional Name: (2S)-2-(4-keto-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)hexanoic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-2-3-6-9(12(18)19)16-11(17)10-8(15-13(16)20)5-4-7-14-10/h4-5,7,9H,2-3,6H2,1H3,(H,15,20)(H,18,19)/t9-/m0/s1