N-cyclohexyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide

Systemtic Name: N-cyclohexyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide Openeye Name: N-cyclohexyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide CAS Name: N-cyclohexyl-4-[[2-(cyclohexylamino)-9-ethyl-6-purinyl]amino]benzenesulfonamide IUPAC Name: N-cyclohexyl-4-[[2-(cyclohexylamino)-9-ethylpurin-6-yl]amino]benzenesulfonamide Traditional Name: N-cyclohexyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide Formula: C25H35N7O2S MolecularWeight: 497.6561

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4)NC5CCCCC5

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4)NC5CCCCC5

InChI

InChI=1S/C25H35N7O2S/c1-2-32-17-26-22-23(29-25(30-24(22)32)28-18-9-5-3-6-10-18)27-19-13-15-21(16-14-19)35(33,34)31-20-11-7-4-8-12-20/h13-18,20,31H,2-12H2,1H3,(H2,27,28,29,30)