3-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=O)N2)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=O)N2)O)C(=O)O

InChI

InChI=1S/C13H11N3O5S/c17-9-5-10(18)16-13(15-9)22-6-11(19)14-8-3-1-2-7(4-8)12(20)21/h1-5H,6H2,(H,14,19)(H,20,21)(H2,15,16,17,18)