N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-fluorophenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-fluorophenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(3-fluorobenzyl)piperidino]amino]purin-2-yl]amine Formula: C28H39FN8 MolecularWeight: 506.661263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)F)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)F)NC6CCC(CC6)N

InChI

InChI=1S/C28H39FN8/c29-21-5-3-4-20(17-21)16-19-12-14-36(15-13-19)35-26-25-27(37(18-31-25)24-6-1-2-7-24)34-28(33-26)32-23-10-8-22(30)9-11-23/h3-5,17-19,22-24H,1-2,6-16,30H2,(H2,32,33,34,35)