4-[2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H17N3O4S/c1-3-12-9(2)17-16(19-14(12)21)24-8-13(20)18-11-6-4-10(5-7-11)15(22)23/h4-7H,3,8H2,1-2H3,(H,18,20)(H,22,23)(H,17,19,21)