N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-[(4-fluorophenyl)methyl]piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-[(4-fluorophenyl)methyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-[(4-fluorophenyl)methyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-[(4-fluorophenyl)methyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-[(4-fluorophenyl)methyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(4-fluorobenzyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C28H39FN8 MolecularWeight: 506.661263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CC6=CC=C(C=C6)F

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CC6=CC=C(C=C6)F

InChI

InChI=1S/C28H39FN8/c29-19-7-5-18(6-8-19)15-23-16-22(13-14-31-23)34-28-35-26(33-21-11-9-20(30)10-12-21)25-27(36-28)37(17-32-25)24-3-1-2-4-24/h5-8,17,20-24,31H,1-4,9-16,30H2,(H2,33,34,35,36)