4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C6H5ClN2O2S MolecularWeight: 204.6341

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)Cl)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)Cl)C(=O)O

InChI

InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11)