N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(3-pyridylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(3-pyridinylmethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(pyridin-3-ylmethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(3-pyridylmethyl)piperidino]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)NN5CCC(CC5)CC6=CN=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CC6=CN=CC=C6

InChI

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