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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-(cyclohexylmethyl)piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-(cyclohexylmethyl)-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[4-(cyclohexylmethyl)-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-(cyclohexylmethyl)piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[[4-(cyclohexylmethyl)piperidino]amino]-9-cyclopentyl-purin-2-yl]amine trihydrochloride Formula: C28H49Cl3N8 MolecularWeight: 604.10126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(CC1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N.Cl.Cl.Cl

InChI

InChI=1S/C28H46N8.3ClH/c29-22-10-12-23(13-11-22)31-28-32-26(25-27(33-28)36(19-30-25)24-8-4-5-9-24)34-35-16-14-21(15-17-35)18-20-6-2-1-3-7-20;;;/h19-24H,1-18,29H2,(H2,31,32,33,34);3*1H