N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]benzenesulfonamide

Systemtic Name: N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]benzenesulfonamide Openeye Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]benzenesulfonamide CAS Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]butyl]benzenesulfonamide IUPAC Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]butyl]benzenesulfonamide Traditional Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]benzenesulfonamide Formula: C23H34N8O2S MolecularWeight: 486.63346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCCCCNS(=O)(=O)C3=CC=CC=C3)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCCCCNS(=O)(=O)C3=CC=CC=C3)NC4CCC(CC4)N

InChI

InChI=1S/C23H34N8O2S/c1-2-31-16-26-20-21(29-23(30-22(20)31)28-18-12-10-17(24)11-13-18)25-14-6-7-15-27-34(32,33)19-8-4-3-5-9-19/h3-5,8-9,16-18,27H,2,6-7,10-15,24H2,1H3,(H2,25,28,29,30)