2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[(4,6-dimethylpyrimidin-2-yl)thio]butanoylamino]benzoic acid Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H18ClN3O3S/c1-4-14(25-17-19-9(2)7-10(3)20-17)15(22)21-11-5-6-13(18)12(8-11)16(23)24/h5-8,14H,4H2,1-3H3,(H,21,22)(H,23,24)