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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N8O2S/c1-4-6-15-31(3)35(33,34)20-13-11-18(12-14-20)27-22-21-23(32(5-2)16-26-21)30-24(29-22)28-19-9-7-17(25)8-10-19/h11-14,16-17,19H,4-10,15,25H2,1-3H3,(H2,27,28,29,30)