tert-butyl 4-[4-azanyl-3-(4-azanyl-3-fluoranyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-azanyl-3-(4-azanyl-3-fluoranyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-(4-amino-3-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-amino-3-(4-amino-3-fluorophenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-(4-amino-3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-amino-3-(4-amino-3-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26FN7O2 MolecularWeight: 427.475243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C(=N2)C4=CC(=C(C=C4)N)F)C(=NC=N3)N

InChI

InChI=1S/C21H26FN7O2/c1-21(2,3)31-20(30)28-8-6-13(7-9-28)29-19-16(18(24)25-11-26-19)17(27-29)12-4-5-15(23)14(22)10-12/h4-5,10-11,13H,6-9,23H2,1-3H3,(H2,24,25,26)