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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-propylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-methyl-6-propylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-methyl-6-(propylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-methyl-6-(propylthio)pyrimidine-5-carboxylic acid Formula: C15H15BrN2O2S MolecularWeight: 367.2608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H15BrN2O2S/c1-3-8-21-14-12(15(19)20)9(2)17-13(18-14)10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3,(H,19,20)