potassium 4-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: potassium 4-[2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: potassium 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: potassium 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: potassium 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: potassium 4-[[2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C13H10KN3O5S MolecularWeight: 359.3989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC(=CC(=O)N2)O.[K+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC(=CC(=O)N2)O.[K+]

InChI

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