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

Systemtic Name: (4-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Openeye Name: (1-isopropyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-methyl-1-propan-2-yl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (4-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-isopropyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-11(2)20-17-15(10-18-20)13(4)9-16(19-17)23-24(21,22)14-7-5-12(3)6-8-14/h5-11H,1-4H3