1-[1-[[6-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]piperidin-4-yl]hexan-1-ol

Systemtic Name: 1-[1-[[6-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]piperidin-4-yl]hexan-1-ol Openeye Name: 1-[1-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]-4-piperidyl]hexan-1-ol CAS Name: 1-[1-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-2-purinyl]amino]-4-piperidinyl]-1-hexanol IUPAC Name: 1-[1-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-2-yl]amino]piperidin-4-yl]hexan-1-ol Traditional Name: 1-[1-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]-4-piperidyl]hexan-1-ol Formula: C27H46N8O MolecularWeight: 498.70714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)O

Isomeric SMILES

CCCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)O

InChI

InChI=1S/C27H46N8O/c1-2-3-4-9-23(36)19-14-16-34(17-15-19)33-27-31-25(30-21-12-10-20(28)11-13-21)24-26(32-27)35(18-29-24)22-7-5-6-8-22/h18-23,36H,2-17,28H2,1H3,(H2,30,31,32,33)