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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-2-thienyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-2-thiophenyl)methylthio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-bromothiophen-2-yl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-2-thienyl)methylthio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H13BrN2O2S2 MolecularWeight: 373.28852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=C(S2)Br)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=C(S2)Br)C(=O)O)C

InChI

InChI=1S/C13H13BrN2O2S2/c1-3-10-15-7(2)11(13(17)18)12(16-10)19-6-8-4-5-9(14)20-8/h4-5H,3,6H2,1-2H3,(H,17,18)