N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C21H25N5 MolecularWeight: 347.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C=CCCC2=CC=CC=C2)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CC(CCC1/C=C/CCC2=CC=CC=C2)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H25N5/c1-2-6-16(7-3-1)8-4-5-9-17-10-12-18(13-11-17)25-20-19-14-24-26-21(19)23-15-22-20/h1-3,5-7,9,14-15,17-18H,4,8,10-13H2,(H2,22,23,24,25,26)/b9-5+