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

Systemtic Name: 2-[4-[[6-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]piperidin-2-yl]-1-phenyl-ethanol Openeye Name: 2-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]-2-piperidyl]-1-phenyl-ethanol CAS Name: 2-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-2-purinyl]amino]-2-piperidinyl]-1-phenylethanol IUPAC Name: 2-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-2-yl]amino]piperidin-2-yl]-1-phenylethanol Traditional Name: 2-[4-[[6-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-2-yl]amino]-2-piperidyl]-1-phenyl-ethanol Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N8O/c30-20-10-12-21(13-11-20)33-27-26-28(37(18-32-26)24-8-4-5-9-24)36-29(35-27)34-22-14-15-31-23(16-22)17-25(38)19-6-2-1-3-7-19/h1-3,6-7,18,20-25,31,38H,4-5,8-17,30H2,(H2,33,34,35,36)