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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[2-[(3-chloranyl-4-methyl-phenyl)methyl]piperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[2-[(3-chloro-4-methyl-phenyl)methyl]-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[2-[(3-chloro-4-methylphenyl)methyl]-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[2-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[2-(3-chloro-4-methyl-benzyl)-4-piperidyl]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)CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)Cl

InChI

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