3-[4-[(phenylmethyl)amino]phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-[(phenylmethyl)amino]phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-(benzylamino)phenyl]-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[(phenylmethyl)amino]phenyl]-1-(4-piperidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-(benzylamino)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]-benzyl-amine Formula: C23H25N7 MolecularWeight: 399.4915

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)NCC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)NCC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C23H25N7/c24-22-20-21(29-30(23(20)28-15-27-22)19-10-12-25-13-11-19)17-6-8-18(9-7-17)26-14-16-4-2-1-3-5-16/h1-9,15,19,25-26H,10-14H2,(H2,24,27,28)