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

Systemtic Name: 3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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