2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid

Systemtic Name: 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid Openeye Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid IUPAC Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid Traditional Name: 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid Formula: C13H11ClN2O4S MolecularWeight: 328.747982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)O)OC

Isomeric SMILES

COC1=CC(=N[14C](=N1)SC2=C(C(=CC=C2)Cl)C(=O)O)OC

InChI

InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)/i13+2