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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[1-[4-(dimethylamino)butyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[4-(dimethylamino)butyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[1-[4-(dimethylamino)butyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[4-(dimethylamino)butyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: 4-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]piperidino]butyl-dimethyl-amine Formula: C27H47N9 MolecularWeight: 497.72238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCN1CCC(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CN(C)CCCCN1CCC(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C27H47N9/c1-34(2)15-5-6-16-35-17-13-22(14-18-35)31-27-32-25(30-21-11-9-20(28)10-12-21)24-26(33-27)36(19-29-24)23-7-3-4-8-23/h19-23H,3-18,28H2,1-2H3,(H2,30,31,32,33)