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

Systemtic Name: 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-isobutyl-benzenesulfonamide CAS Name: 4-[[2-(cyclohexylamino)-9-ethyl-6-purinyl]amino]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[[2-(cyclohexylamino)-9-ethylpurin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]-N-isobutyl-benzenesulfonamide Formula: C23H33N7O2S MolecularWeight: 471.61882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N7O2S/c1-4-30-15-24-20-21(28-23(29-22(20)30)27-17-8-6-5-7-9-17)26-18-10-12-19(13-11-18)33(31,32)25-14-16(2)3/h10-13,15-17,25H,4-9,14H2,1-3H3,(H2,26,27,28,29)