(2S)-5-azanyl-5-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)pentanoic acid

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)pentanoic acid Openeye Name: (2S)-5-amino-5-oxo-2-(4-oxo-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)pentanoic acid CAS Name: (2S)-5-amino-5-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)pentanoic acid IUPAC Name: (2S)-5-amino-5-oxo-2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)pentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-(4-keto-2-thioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)valeric acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N(C(=S)N2)C(CCC(=O)N)C(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)N(C(=S)N2)[C@@H](CCC(=O)N)C(=O)O)N=C1

InChI

InChI=1S/C12H12N4O4S/c13-8(17)4-3-7(11(19)20)16-10(18)9-6(15-12(16)21)2-1-5-14-9/h1-2,5,7H,3-4H2,(H2,13,17)(H,15,21)(H,19,20)/t7-/m0/s1