N2-(4-azanylcyclohexyl)-N6-[2-[(3-chlorophenyl)methylamino]ethyl]-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[2-[(3-chlorophenyl)methylamino]ethyl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[2-[(3-chlorophenyl)methylamino]ethyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[2-[(3-chlorophenyl)methylamino]ethyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-[(3-chlorophenyl)methylamino]ethyl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[2-[(3-chlorobenzyl)amino]ethylamino]-9-cyclopentyl-purin-2-yl]amine Formula: C25H35ClN8 MolecularWeight: 483.052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN8/c26-18-5-3-4-17(14-18)15-28-12-13-29-23-22-24(34(16-30-22)21-6-1-2-7-21)33-25(32-23)31-20-10-8-19(27)9-11-20/h3-5,14,16,19-21,28H,1-2,6-13,15,27H2,(H2,29,31,32,33)