N2-(4-azanylcyclohexyl)-N6-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]purin-2-yl]amine Formula: C25H33N9 MolecularWeight: 459.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CN=C(N3)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CN=C(N3)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C25H33N9/c1-16(2)34-15-29-21-23(32-25(33-24(21)34)31-19-10-8-18(26)9-11-19)27-13-12-20-14-28-22(30-20)17-6-4-3-5-7-17/h3-7,14-16,18-19H,8-13,26H2,1-2H3,(H,28,30)(H2,27,31,32,33)