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

Systemtic Name: N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]-N-methyl-benzenesulfonamide Openeye Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]-N-methyl-benzenesulfonamide CAS Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]butyl]-N-methylbenzenesulfonamide IUPAC Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]butyl]-N-methylbenzenesulfonamide Traditional Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]butyl]-N-methyl-benzenesulfonamide Formula: C24H36N8O2S MolecularWeight: 500.66004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCCCCN(C)S(=O)(=O)C3=CC=CC=C3)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCCCCN(C)S(=O)(=O)C3=CC=CC=C3)NC4CCC(CC4)N

InChI

InChI=1S/C24H36N8O2S/c1-3-32-17-27-21-22(29-24(30-23(21)32)28-19-13-11-18(25)12-14-19)26-15-7-8-16-31(2)35(33,34)20-9-5-4-6-10-20/h4-6,9-10,17-19H,3,7-8,11-16,25H2,1-2H3,(H2,26,28,29,30)