4-[[[9-[5-(diethylamino)pentan-2-yl]purin-6-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[9-[5-(diethylamino)pentan-2-yl]purin-6-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[9-[4-(diethylamino)-1-methyl-butyl]purin-6-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[9-[5-(diethylamino)pentan-2-yl]-6-purinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[9-[5-(diethylamino)pentan-2-yl]purin-6-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[9-[4-(diethylamino)-1-methyl-butyl]purin-6-yl]amino]methyl]benzenesulfonamide Formula: C21H31N7O2S MolecularWeight: 445.58154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)N1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCCC(C)N1C=NC2=C1N=CN=C2NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H31N7O2S/c1-4-27(5-2)12-6-7-16(3)28-15-26-19-20(24-14-25-21(19)28)23-13-17-8-10-18(11-9-17)31(22,29)30/h8-11,14-16H,4-7,12-13H2,1-3H3,(H2,22,29,30)(H,23,24,25)