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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[4-[(3-chlorophenyl)methyl]-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[4-[(3-chlorophenyl)methyl]-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[4-(3-chlorobenzyl)piperidino]amino]-9-cyclopentyl-purin-6-yl]amine Formula: C28H39ClN8 MolecularWeight: 523.11586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39ClN8/c29-21-5-3-4-20(17-21)16-19-12-14-36(15-13-19)35-28-33-26(32-23-10-8-22(30)9-11-23)25-27(34-28)37(18-31-25)24-6-1-2-7-24/h3-5,17-19,22-24H,1-2,6-16,30H2,(H2,32,33,34,35)