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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-[(2-chlorophenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-[(2-chlorophenyl)methyl]-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-[(2-chlorophenyl)methyl]-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-[(2-chlorophenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(2-chlorobenzyl)piperidino]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=C3NN4CCC(CC4)CC5=CC=CC=C5Cl)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5Cl)NC6CCC(CC6)N

InChI

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