4-methyl-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(methylthio)-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-methylsulfanyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-(methylthio)-2-phenyl-pyrimidine-5-carboxylic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-8-10(13(16)17)12(18-2)15-11(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,16,17)