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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-isobutylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-methyl-6-(2-methylpropylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-(2-methylpropylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-(isobutylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H17BrN2O2S MolecularWeight: 381.28738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O2S/c1-9(2)8-22-15-13(16(20)21)10(3)18-14(19-15)11-4-6-12(17)7-5-11/h4-7,9H,8H2,1-3H3,(H,20,21)