(3,4-dimethylphenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (3,4-dimethylphenyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid (3,4-dimethylphenyl) ester Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)C

InChI

InChI=1S/C14H13ClN2O4S/c1-8-4-5-10(6-9(8)2)21-13(18)12-11(15)7-16-14(17-12)22(3,19)20/h4-7H,1-3H3