8-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(pyridin-2-ylmethyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: 8-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(pyridin-2-ylmethyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(2-pyridylmethyl)-4-piperidyl]purine-2,6-diamine CAS Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(2-pyridinylmethyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(pyridin-2-ylmethyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: [6-amino-8-(4-aminocyclohexyl)-9-cyclopentyl-purin-2-yl]-[2-(2-pyridylmethyl)-4-piperidyl]amine Formula: C27H39N9 MolecularWeight: 489.65886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)NC4CCNC(C4)CC5=CC=CC=N5)C6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)NC4CCNC(C4)CC5=CC=CC=N5)C6CCC(CC6)N

InChI

InChI=1S/C27H39N9/c28-18-10-8-17(9-11-18)25-33-23-24(29)34-27(35-26(23)36(25)22-6-1-2-7-22)32-20-12-14-31-21(16-20)15-19-5-3-4-13-30-19/h3-5,13,17-18,20-22,31H,1-2,6-12,14-16,28H2,(H3,29,32,34,35)