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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)N

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)N

InChI

InChI=1S/C23H34N8O2S/c1-3-5-14-26-34(32,33)19-12-10-17(11-13-19)27-21-20-22(31(4-2)15-25-20)30-23(29-21)28-18-8-6-16(24)7-9-18/h10-13,15-16,18,26H,3-9,14,24H2,1-2H3,(H2,27,28,29,30)