(4-methoxyphenyl) 5-bromanyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-methoxyphenyl) 5-bromanyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 5-bromo-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-methylsulfonyl-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-bromo-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-mesyl-pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester Formula: C13H11BrN2O5S MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Br)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Br)S(=O)(=O)C

InChI

InChI=1S/C13H11BrN2O5S/c1-20-8-3-5-9(6-4-8)21-12(17)11-10(14)7-15-13(16-11)22(2,18)19/h3-7H,1-2H3