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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[2-[(3-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[2-[(3-chlorophenyl)methyl]-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[2-[(3-chlorophenyl)methyl]-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[2-[(3-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[2-(3-chlorobenzyl)-4-piperidyl]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)NC5CCNC(C5)CC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CC6=CC(=CC=C6)Cl

InChI

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