N-butyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide; carbamic acid

Systemtic Name: N-butyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide; carbamic acid Openeye Name: N-butyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide; carbamic acid CAS Name: N-butyl-4-[[2-(cyclohexylamino)-9-ethyl-6-purinyl]amino]benzenesulfonamide; carbamic acid IUPAC Name: N-butyl-4-[[2-(cyclohexylamino)-9-ethylpurin-6-yl]amino]benzenesulfonamide; carbamic acid Traditional Name: N-butyl-4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzenesulfonamide; carbamic acid Formula: C24H36N8O4S MolecularWeight: 532.65884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCCCC4.C(=O)(N)O

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCCCC4.C(=O)(N)O

InChI

InChI=1S/C23H33N7O2S.CH3NO2/c1-3-5-15-25-33(31,32)19-13-11-18(12-14-19)26-21-20-22(30(4-2)16-24-20)29-23(28-21)27-17-9-7-6-8-10-17;2-1(3)4/h11-14,16-17,25H,3-10,15H2,1-2H3,(H2,26,27,28,29);2H2,(H,3,4)