N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(4-fluorophenyl)methylamino]ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(4-fluorophenyl)methylamino]ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(4-fluorophenyl)methylamino]ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(4-fluorophenyl)methylamino]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-[(4-fluorophenyl)methylamino]ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-[(4-fluorobenzyl)amino]ethylamino]purin-2-yl]amine Formula: C25H35FN8 MolecularWeight: 466.597403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)F)NC5CCC(CC5)N

InChI

InChI=1S/C25H35FN8/c26-18-7-5-17(6-8-18)15-28-13-14-29-23-22-24(34(16-30-22)21-3-1-2-4-21)33-25(32-23)31-20-11-9-19(27)10-12-20/h5-8,16,19-21,28H,1-4,9-15,27H2,(H2,29,31,32,33)