N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-(4-methoxyphenyl)ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(4-methoxyphenyl)ethylamino]purin-2-yl]amine Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C25H35N7O/c1-33-21-12-6-17(7-13-21)14-15-27-23-22-24(32(16-28-22)20-4-2-3-5-20)31-25(30-23)29-19-10-8-18(26)9-11-19/h6-7,12-13,16,18-20H,2-5,8-11,14-15,26H2,1H3,(H2,27,29,30,31)