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

Systemtic Name: 4-[2-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(6-isopropyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17N3O4S/c1-9(2)12-7-13(20)19-16(18-12)24-8-14(21)17-11-5-3-10(4-6-11)15(22)23/h3-7,9H,8H2,1-2H3,(H,17,21)(H,22,23)(H,18,19,20)