methyl 2-chloranyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate

Systemtic Name: methyl 2-chloranyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate Openeye Name: methyl 2-chloro-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate CAS Name: 2-chloro-5-methylsulfonyl-4-(2-pyrimidinylamino)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate Traditional Name: 2-chloro-5-mesyl-4-(2-pyrimidylamino)benzoic acid methyl ester Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1Cl)NC2=NC=CC=N2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1Cl)NC2=NC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C13H12ClN3O4S/c1-21-12(18)8-6-11(22(2,19)20)10(7-9(8)14)17-13-15-4-3-5-16-13/h3-7H,1-2H3,(H,15,16,17)