3-fluoranyl-N-[4-[(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide

Systemtic Name: 3-fluoranyl-N-[4-[(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide Openeye Name: 3-fluoro-N-[4-[(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide CAS Name: 3-fluoro-N-[4-[(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)amino]cyclohexyl]benzamide IUPAC Name: 3-fluoro-N-[4-[(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide Traditional Name: 3-fluoro-N-[4-[(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide Formula: C27H29FN6O MolecularWeight: 472.557163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4CCC(CC4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4CCC(CC4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H29FN6O/c1-17(2)24-32-25(23-16-29-34(26(23)33-24)22-9-4-3-5-10-22)30-20-11-13-21(14-12-20)31-27(35)18-7-6-8-19(28)15-18/h3-10,15-17,20-21H,11-14H2,1-2H3,(H,31,35)(H,30,32,33)