N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-pyridin-3-ylethyl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-pyridin-3-ylethyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(3-pyridyl)ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(3-pyridinyl)ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(2-pyridin-3-ylethyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(3-pyridyl)ethylamino]purin-2-yl]amine Formula: C23H32N8 MolecularWeight: 420.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCC4=CN=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCC4=CN=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C23H32N8/c24-17-7-9-18(10-8-17)28-23-29-21(26-13-11-16-4-3-12-25-14-16)20-22(30-23)31(15-27-20)19-5-1-2-6-19/h3-4,12,14-15,17-19H,1-2,5-11,13,24H2,(H2,26,28,29,30)