[4-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate Openeye Name: (1-isobutyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-1-(2-methylpropyl)-6-pyrazolo[3,4-b]pyridinyl] ester IUPAC Name: [4-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-isobutyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=NN3CC(C)C)C(=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=NN3CC(C)C)C(=C2)C

InChI

InChI=1S/C18H21N3O3S/c1-12(2)11-21-18-16(10-19-21)14(4)9-17(20-18)24-25(22,23)15-7-5-13(3)6-8-15/h5-10,12H,11H2,1-4H3