N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[(4-fluorophenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(4-fluorobenzyl)piperidino]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)NN5CCC(CC5)CC6=CC=C(C=C6)F

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CC6=CC=C(C=C6)F

InChI

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