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

Systemtic Name: 1-[4-[[6-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]piperidin-2-yl]butan-1-ol Openeye Name: 1-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]-2-piperidyl]butan-1-ol CAS Name: 1-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-2-purinyl]amino]-2-piperidinyl]-1-butanol IUPAC Name: 1-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-2-yl]amino]piperidin-2-yl]butan-1-ol Traditional Name: 1-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]-2-piperidyl]butan-1-ol Formula: C25H42N8O MolecularWeight: 470.65398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)O

Isomeric SMILES

CCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)O

InChI

InChI=1S/C25H42N8O/c1-2-5-21(34)20-14-18(12-13-27-20)30-25-31-23(29-17-10-8-16(26)9-11-17)22-24(32-25)33(15-28-22)19-6-3-4-7-19/h15-21,27,34H,2-14,26H2,1H3,(H2,29,30,31,32)