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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[2-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[2-[(2-chlorophenyl)methyl]-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[2-[(2-chlorophenyl)methyl]-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[2-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[2-(2-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=C6Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CC6=CC=CC=C6Cl

InChI

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