2-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]ethanol

Systemtic Name: 2-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]ethanol Openeye Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]ethanol CAS Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinyl]ethanol IUPAC Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]ethanol Traditional Name: 2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]ethanol Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CCO)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1C(CN1CCO)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C22H22N6O2/c23-21-19-20(15-6-8-18(9-7-15)30-17-4-2-1-3-5-17)26-28(22(19)25-14-24-21)16-12-27(13-16)10-11-29/h1-9,14,16,29H,10-13H2,(H2,23,24,25)