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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-[(3-chlorophenyl)methyl]-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-[(3-chlorophenyl)methyl]-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(3-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=C5)Cl)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)Cl)NC6CCC(CC6)N

InChI

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