N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3,4,5-trimethoxyphenyl)methyl]purine-6,8-diamine

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3,4,5-trimethoxyphenyl)methyl]purine-6,8-diamine Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3,4,5-trimethoxyphenyl)methyl]purine-6,8-diamine CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3,4,5-trimethoxyphenyl)methyl]purine-6,8-diamine IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]purine-6,8-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(3,4,5-trimethoxybenzyl)amino]purin-8-yl]amine Formula: C26H37N7O3 MolecularWeight: 495.61708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC3=C2N=C(N3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC3=C2N=C(N3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C26H37N7O3/c1-34-20-12-16(13-21(35-2)23(20)36-3)14-28-24-22-25(30-15-29-24)33(19-6-4-5-7-19)26(32-22)31-18-10-8-17(27)9-11-18/h12-13,15,17-19H,4-11,14,27H2,1-3H3,(H,31,32)(H,28,29,30)