N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-6,8-diamine dihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(4-methoxyphenyl)ethyl]purine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-(4-methoxyphenyl)ethyl]purine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(4-methoxyphenyl)ethylamino]purin-8-yl]amine dihydrochloride Formula: C25H37Cl2N7O MolecularWeight: 522.51358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC=NC3=C2N=C(N3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC=NC3=C2N=C(N3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

InChI

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