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

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-(2-pyrimidinylamino)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoate Traditional Name: 5-mesyl-2-methyl-4-(2-pyrimidylamino)benzoic acid methyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)NC2=NC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)NC2=NC=CC=N2

InChI

InChI=1S/C14H15N3O4S/c1-9-7-11(17-14-15-5-4-6-16-14)12(22(3,19)20)8-10(9)13(18)21-2/h4-8H,1-3H3,(H,15,16,17)