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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(pyridin-3-ylmethyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(3-pyridylmethyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(3-pyridinylmethyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(pyridin-3-ylmethyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(3-pyridylmethyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C27H39N9 MolecularWeight: 489.65886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N9/c28-19-7-9-20(10-8-19)32-25-24-26(36(17-31-24)23-5-1-2-6-23)35-27(34-25)33-21-11-13-30-22(15-21)14-18-4-3-12-29-16-18/h3-4,12,16-17,19-23,30H,1-2,5-11,13-15,28H2,(H2,32,33,34,35)