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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NCN5CCC(CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NCN5CCC(CC5)CC6=CC=CC=C6

InChI

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