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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[4-[(3-chloranyl-4-methyl-phenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[4-[(3-chloro-4-methyl-phenyl)methyl]-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[4-[(3-chloro-4-methylphenyl)methyl]-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[4-[(3-chloro-4-methylphenyl)methyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[4-(3-chloro-4-methyl-benzyl)piperidino]amino]-9-cyclopentyl-purin-6-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=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)Cl

InChI

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