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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(p-anisylamino)ethylamino]purin-2-yl]amine Formula: C26H38N8O MolecularWeight: 478.63292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=C(C=C1)CNCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C26H38N8O/c1-35-22-12-6-18(7-13-22)16-28-14-15-29-24-23-25(34(17-30-23)21-4-2-3-5-21)33-26(32-24)31-20-10-8-19(27)9-11-20/h6-7,12-13,17,19-21,28H,2-5,8-11,14-16,27H2,1H3,(H2,29,31,32,33)