3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methylamino]phenyl]-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]-1-(4-piperidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(2-chloro-6-fluoro-benzyl)amine Formula: C23H23ClFN7 MolecularWeight: 451.927023

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)NCC5=C(C=CC=C5Cl)F)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)NCC5=C(C=CC=C5Cl)F)C(=NC=N3)N

InChI

InChI=1S/C23H23ClFN7/c24-18-2-1-3-19(25)17(18)12-28-15-6-4-14(5-7-15)21-20-22(26)29-13-30-23(20)32(31-21)16-8-10-27-11-9-16/h1-7,13,16,27-28H,8-12H2,(H2,26,29,30)