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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[(1-p-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=C(C=C1)CN2CCC(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H42N8O/c1-38-25-12-6-20(7-13-25)18-36-16-14-23(15-17-36)33-29-34-27(32-22-10-8-21(30)9-11-22)26-28(35-29)37(19-31-26)24-4-2-3-5-24/h6-7,12-13,19,21-24H,2-5,8-11,14-18,30H2,1H3,(H2,32,33,34,35)