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

Systemtic Name: 4-[(2-bromophenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-bromophenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-bromophenyl)methylthio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-bromophenyl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-bromobenzyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H15BrN2O2S MolecularWeight: 367.2608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=CC=C2Br)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=CC=C2Br)C(=O)O)C

InChI

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