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

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-2-(2-thienyl)ethanone Formula: C27H38N8OS MolecularWeight: 522.70862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CC5=CC=CS5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CC5=CC=CS5)NC6CCC(CC6)N

InChI

InChI=1S/C27H38N8OS/c28-18-7-9-19(10-8-18)31-27-32-25(24-26(33-27)35(17-29-24)21-4-1-2-5-21)30-20-11-13-34(14-12-20)23(36)16-22-6-3-15-37-22/h3,6,15,17-21H,1-2,4-5,7-14,16,28H2,(H2,30,31,32,33)