3-[4-(1-benzofuran-2-ylmethylamino)phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-(1-benzofuran-2-ylmethylamino)phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-(benzofuran-2-ylmethylamino)phenyl]-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-(2-benzofuranylmethylamino)phenyl]-1-(4-piperidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-(1-benzofuran-2-ylmethylamino)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]-(benzofuran-2-ylmethyl)amine Formula: C25H25N7O MolecularWeight: 439.5123

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)NCC5=CC6=CC=CC=C6O5)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1N2C3=C(C(=N2)C4=CC=C(C=C4)NCC5=CC6=CC=CC=C6O5)C(=NC=N3)N

InChI

InChI=1S/C25H25N7O/c26-24-22-23(31-32(25(22)30-15-29-24)19-9-11-27-12-10-19)16-5-7-18(8-6-16)28-14-20-13-17-3-1-2-4-21(17)33-20/h1-8,13,15,19,27-28H,9-12,14H2,(H2,26,29,30)