5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-(methylthio)pyrimidine-4-carboxylate Formula: C6H4BrN2O2S- MolecularWeight: 248.07716

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)[O-])Br

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)[O-])Br

InChI

InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)/p-1