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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[[1-(phenylmethyl)piperidin-4-yl]methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(1-benzyl-4-piperidyl)methyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[[1-(phenylmethyl)-4-piperidinyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(1-benzylpiperidin-4-yl)methyl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(1-benzyl-4-piperidyl)methylamino]-9-cyclopentyl-purin-2-yl]amine Formula: C29H42N8 MolecularWeight: 502.69738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4CCN(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4CCN(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C29H42N8/c30-23-10-12-24(13-11-23)33-29-34-27(26-28(35-29)37(20-32-26)25-8-4-5-9-25)31-18-21-14-16-36(17-15-21)19-22-6-2-1-3-7-22/h1-3,6-7,20-21,23-25H,4-5,8-19,30H2,(H2,31,33,34,35)