5-tert-butylsulfonyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

Systemtic Name: 5-tert-butylsulfonyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine Openeye Name: 5-tert-butylsulfonyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine CAS Name: 5-tert-butylsulfonyl-2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-4-pyrimidinamine IUPAC Name: 5-tert-butylsulfonyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine Traditional Name: [5-tert-butylsulfonyl-2-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-yl]amine Formula: C21H21FN6O2S MolecularWeight: 440.493843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CN=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H21FN6O2S/c1-21(2,3)31(29,30)16-11-25-19(26-18(16)23)17-14-8-6-10-24-20(14)28(27-17)12-13-7-4-5-9-15(13)22/h4-11H,12H2,1-3H3,(H2,23,25,26)