N2-(4-azanylcyclohexyl)-N6-[4-[(3-chloranyl-4-methyl-phenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-[(3-chloranyl-4-methyl-phenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-[(3-chloro-4-methyl-phenyl)methyl]-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-[(3-chloro-4-methylphenyl)methyl]-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-[(3-chloro-4-methylphenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(3-chloro-4-methyl-benzyl)piperidino]amino]-9-cyclopentyl-purin-2-yl]amine Formula: C29H41ClN8 MolecularWeight: 537.14244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N)Cl

InChI

InChI=1S/C29H41ClN8/c1-19-6-7-21(17-25(19)30)16-20-12-14-37(15-13-20)36-27-26-28(38(18-32-26)24-4-2-3-5-24)35-29(34-27)33-23-10-8-22(31)9-11-23/h6-7,17-18,20,22-24H,2-5,8-16,31H2,1H3,(H2,33,34,35,36)