4-tert-butyl-N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-tert-butyl-N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide Openeye Name: 4-tert-butyl-N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide CAS Name: 4-tert-butyl-N'-[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]benzohydrazide IUPAC Name: 4-tert-butyl-N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide Traditional Name: 4-tert-butyl-N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN6O/c1-22(2,3)15-6-4-14(5-7-15)21(30)28-27-19-18-12-26-29(20(18)25-13-24-19)17-10-8-16(23)9-11-17/h4-13H,1-3H3,(H,28,30)(H,24,25,27)