N2-(4-azanylcyclohexyl)-N6-[2-(4-phenylphenoxy)ethyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[2-(4-phenylphenoxy)ethyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[2-(4-phenylphenoxy)ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[2-(4-phenylphenoxy)ethyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-(4-phenylphenoxy)ethyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[2-(4-phenylphenoxy)ethylamino]purin-2-yl]amine Formula: C28H35N7O MolecularWeight: 485.6238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCOC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCOC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C28H35N7O/c1-19(2)35-18-31-25-26(33-28(34-27(25)35)32-23-12-10-22(29)11-13-23)30-16-17-36-24-14-8-21(9-15-24)20-6-4-3-5-7-20/h3-9,14-15,18-19,22-23H,10-13,16-17,29H2,1-2H3,(H2,30,32,33,34)