2-(4-bromophenyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid Formula: C13H11BrN2O2S MolecularWeight: 339.20764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O2S/c1-7-10(13(17)18)12(19-2)16-11(15-7)8-3-5-9(14)6-4-8/h3-6H,1-2H3,(H,17,18)