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

Systemtic Name: (1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Openeye Name: (1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-cyclopentyl-4-methyl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (1-cyclopentyl-4-methylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-cyclopentyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=NN3C4CCCC4)C(=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=NN3C4CCCC4)C(=C2)C

InChI

InChI=1S/C19H21N3O3S/c1-13-7-9-16(10-8-13)26(23,24)25-18-11-14(2)17-12-20-22(19(17)21-18)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3