N-tert-butyl-4-[1-(4-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[1-(4-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[1-(4-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[1-(4-fluorophenyl)-6-methyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[1-(4-fluorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[1-(4-fluorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide Formula: C21H26FN7O MolecularWeight: 411.475843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=C(C=C3)F)C(=N1)N4CCN(CC4)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=C(C=C3)F)C(=N1)N4CCN(CC4)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H26FN7O/c1-14-24-18(27-9-11-28(12-10-27)20(30)26-21(2,3)4)17-13-23-29(19(17)25-14)16-7-5-15(22)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,26,30)