4-chloranyl-3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]benzoic acid Formula: C16H16ClN3O3S MolecularWeight: 365.83454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)C

InChI

InChI=1S/C16H16ClN3O3S/c1-9-7-10(2)19-16(18-9)24-6-5-14(21)20-13-8-11(15(22)23)3-4-12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)(H,22,23)