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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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