N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-6,8-diamine

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-6,8-diamine Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-6,8-diamine CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(3-methoxyphenyl)ethyl]purine-6,8-diamine IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-(3-methoxyphenyl)ethyl]purine-6,8-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(3-methoxyphenyl)ethylamino]purin-8-yl]amine Formula: C25H35N7O MolecularWeight: 449.5917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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