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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-[(3-methoxyphenyl)methyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-[(3-methoxyphenyl)methyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-[(3-methoxyphenyl)methyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-[(3-methoxyphenyl)methyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[(2-m-anisyl-4-piperidyl)amino]purin-6-yl]amine Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

COC1=CC=CC(=C1)CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H42N8O/c1-38-25-8-4-5-19(16-25)15-23-17-22(13-14-31-23)34-29-35-27(33-21-11-9-20(30)10-12-21)26-28(36-29)37(18-32-26)24-6-2-3-7-24/h4-5,8,16,18,20-24,31H,2-3,6-7,9-15,17,30H2,1H3,(H2,33,34,35,36)