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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)NC4CCC(CC4)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)NC4CCC(CC4)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C27H29FN6O/c1-3-23-31-25(24-17(2)33-34(26(24)32-23)20-9-5-4-6-10-20)29-18-13-15-19(16-14-18)30-27(35)21-11-7-8-12-22(21)28/h4-12,18-19H,3,13-16H2,1-2H3,(H,30,35)(H,29,31,32)