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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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