N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-(3-methoxyphenyl)ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(3-methoxyphenyl)ethylamino]purin-2-yl]amine Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N7O/c1-33-21-8-4-5-17(15-21)13-14-27-23-22-24(32(16-28-22)20-6-2-3-7-20)31-25(30-23)29-19-11-9-18(26)10-12-19/h4-5,8,15-16,18-20H,2-3,6-7,9-14,26H2,1H3,(H2,27,29,30,31)