4-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol

Systemtic Name: 4-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol Openeye Name: 4-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol CAS Name: 4-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]-2-butanol IUPAC Name: 4-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol Traditional Name: 4-phenyl-1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC(CCC2=CC=CC=C2)O)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CC(CCC1CC(CCC2=CC=CC=C2)O)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H27N5O/c27-18(11-8-15-4-2-1-3-5-15)12-16-6-9-17(10-7-16)25-20-19-13-24-26-21(19)23-14-22-20/h1-5,13-14,16-18,27H,6-12H2,(H2,22,23,24,25,26)