2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(2-pyrimidinylamino)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzoic acid Traditional Name: 5-mesyl-2-methyl-4-(2-pyrimidylamino)benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-8-6-10(16-13-14-4-3-5-15-13)11(21(2,19)20)7-9(8)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)