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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H42N8/c1-20(21-7-3-2-4-8-21)36-17-15-24(16-18-36)33-29-34-27(32-23-13-11-22(30)12-14-23)26-28(35-29)37(19-31-26)25-9-5-6-10-25/h2-4,7-8,19-20,22-25H,5-6,9-18,30H2,1H3,(H2,32,33,34,35)