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

Systemtic Name: 1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinyl]-2-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(4-methylpiperazino)ethanone Formula: C27H30N8O2 MolecularWeight: 498.5795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2CC(C2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2CC(C2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C27H30N8O2/c1-32-11-13-33(14-12-32)17-23(36)34-15-20(16-34)35-27-24(26(28)29-18-30-27)25(31-35)19-7-9-22(10-8-19)37-21-5-3-2-4-6-21/h2-10,18,20H,11-17H2,1H3,(H2,28,29,30)