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

Systemtic Name: potassium 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: potassium 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: potassium 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: potassium 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: potassium 4-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C14H12KN3O4S MolecularWeight: 357.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-].[K+]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-].[K+]

InChI

InChI=1S/C14H13N3O4S.K/c1-8-6-11(18)17-14(15-8)22-7-12(19)16-10-4-2-9(3-5-10)13(20)21;/h2-6H,7H2,1H3,(H,16,19)(H,20,21)(H,15,17,18);/q;+1/p-1