N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[(2-methoxyphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[(4-o-anisylpiperidino)amino]purin-6-yl]amine Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

COC1=CC=CC=C1CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H42N8O/c1-38-25-9-5-2-6-21(25)18-20-14-16-36(17-15-20)35-29-33-27(32-23-12-10-22(30)11-13-23)26-28(34-29)37(19-31-26)24-7-3-4-8-24/h2,5-6,9,19-20,22-24H,3-4,7-8,10-18,30H2,1H3,(H2,32,33,34,35)