N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(5-phenylmethoxypentyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(5-phenylmethoxypentyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-(5-benzyloxypentyl)-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(5-phenylmethoxypentyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(5-phenylmethoxypentyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(5-benzoxypentyl)piperidino]amino]-9-cyclopentyl-purin-2-yl]amine Formula: C33H50N8O MolecularWeight: 574.8031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCCCCOCC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCCCCOCC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C33H50N8O/c34-27-14-16-28(17-15-27)36-33-37-31(30-32(38-33)41(24-35-30)29-12-6-7-13-29)39-40-20-18-25(19-21-40)9-5-2-8-22-42-23-26-10-3-1-4-11-26/h1,3-4,10-11,24-25,27-29H,2,5-9,12-23,34H2,(H2,36,37,38,39)