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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CCCCCOCC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CCCCCOCC6=CC=CC=C6

InChI

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