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

Systemtic Name: methyl 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: methyl 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-(methylthio)pyrimidine-4-carboxylic acid methyl ester Formula: C7H7BrN2O2S MolecularWeight: 263.11168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NC=C1Br)SC

Isomeric SMILES

COC(=O)C1=NC(=NC=C1Br)SC

InChI

InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3