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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)CC5=CC=CC=C5Cl)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)CC5=CC=CC=C5Cl)NC6CCC(CC6)N

InChI

InChI=1S/C28H39ClN8/c29-24-8-4-1-5-19(24)17-36-15-13-22(14-16-36)32-26-25-27(37(18-31-25)23-6-2-3-7-23)35-28(34-26)33-21-11-9-20(30)10-12-21/h1,4-5,8,18,20-23H,2-3,6-7,9-17,30H2,(H2,32,33,34,35)