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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCN(CC)CCCC(C)NC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H31N7O2S/c1-4-27(5-2)12-6-7-16(3)26-20-19-21(24-14-23-20)28(15-25-19)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,23,24,26)