4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzoic acid Openeye Name: 4-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]benzoic acid CAS Name: 4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzoic acid Traditional Name: 4-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]benzoic acid Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C13H10ClN3O3S/c1-21-13-15-6-9(14)10(17-13)11(18)16-8-4-2-7(3-5-8)12(19)20/h2-6H,1H3,(H,16,18)(H,19,20)