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

Systemtic Name: 1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-imidazol-1-yl-ethanone Openeye Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-imidazol-1-yl-ethanone CAS Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinyl]-2-(1-imidazolyl)ethanone IUPAC Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-imidazol-1-ylethanone Traditional Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-imidazol-1-yl-ethanone Formula: C25H22N8O2 MolecularWeight: 466.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)CN2C=CN=C2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

C1C(CN1C(=O)CN2C=CN=C2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C25H22N8O2/c26-24-22-23(17-6-8-20(9-7-17)35-19-4-2-1-3-5-19)30-33(25(22)29-15-28-24)18-12-32(13-18)21(34)14-31-11-10-27-16-31/h1-11,15-16,18H,12-14H2,(H2,26,28,29)