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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)O

InChI

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