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

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-2-phenyl-ethanone Formula: C29H40N8O MolecularWeight: 516.6809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N8O/c30-21-10-12-22(13-11-21)33-29-34-27(26-28(35-29)37(19-31-26)24-8-4-5-9-24)32-23-14-16-36(17-15-23)25(38)18-20-6-2-1-3-7-20/h1-3,6-7,19,21-24H,4-5,8-18,30H2,(H2,32,33,34,35)