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

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-oxidanyl-2-phenyl-ethanone Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-2-hydroxy-2-phenyl-ethanone CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-2-hydroxy-2-phenylethanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-hydroxy-2-phenylethanone Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-2-hydroxy-2-phenyl-ethanone Formula: C29H40N8O2 MolecularWeight: 532.6803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N8O2/c30-20-10-12-21(13-11-20)33-29-34-26(24-27(35-29)37(18-31-24)23-8-4-5-9-23)32-22-14-16-36(17-15-22)28(39)25(38)19-6-2-1-3-7-19/h1-3,6-7,18,20-23,25,38H,4-5,8-17,30H2,(H2,32,33,34,35)