4-(2-methylsulfanylphenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-methylsulfanylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methylsulfanylphenyl)pyrimidine-5-carboxylic acid CAS Name: 4-[2-(methylthio)phenyl]-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methylsulfanylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-[2-(methylthio)phenyl]pyrimidine-5-carboxylic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=NC=NC=C2C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C2=NC=NC=C2C(=O)O

InChI

InChI=1S/C12H10N2O2S/c1-17-10-5-3-2-4-8(10)11-9(12(15)16)6-13-7-14-11/h2-7H,1H3,(H,15,16)