(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Openeye Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C(=C2)C)C(=NN3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C(=C2)C)C(=NN3C)C

InChI

InChI=1S/C16H17N3O3S/c1-10-5-7-13(8-6-10)23(20,21)22-14-9-11(2)15-12(3)18-19(4)16(15)17-14/h5-9H,1-4H3