N6-cyclopentyl-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-cyclopentyl-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cyclopentyl-N4-(4-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-cyclopentyl-N4-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cyclopentyl-4-N-(4-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cyclopentyl-[4-(4-fluoroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H21FN6 MolecularWeight: 388.440743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(C1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)F

InChI

InChI=1S/C22H21FN6/c23-15-10-12-17(13-11-15)25-20-19-14-24-29(18-8-2-1-3-9-18)21(19)28-22(27-20)26-16-6-4-5-7-16/h1-3,8-14,16H,4-7H2,(H2,25,26,27,28)