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

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-(4-fluorophenyl)ethanone Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-(4-fluorophenyl)ethanone Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-2-(4-fluorophenyl)ethanone Formula: C29H39FN8O MolecularWeight: 534.671363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CC5=CC=C(C=C5)F)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CC5=CC=C(C=C5)F)NC6CCC(CC6)N

InChI

InChI=1S/C29H39FN8O/c30-20-7-5-19(6-8-20)17-25(39)37-15-13-23(14-16-37)33-27-26-28(38(18-32-26)24-3-1-2-4-24)36-29(35-27)34-22-11-9-21(31)10-12-22/h5-8,18,21-24H,1-4,9-17,31H2,(H2,33,34,35,36)