4-[[6-[[3-(diethylamino)-2-oxidanyl-propyl]amino]purin-9-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[[6-[[3-(diethylamino)-2-oxidanyl-propyl]amino]purin-9-yl]methyl]benzenesulfonamide Openeye Name: 4-[[6-[[3-(diethylamino)-2-hydroxy-propyl]amino]purin-9-yl]methyl]benzenesulfonamide CAS Name: 4-[[6-[[3-(diethylamino)-2-hydroxypropyl]amino]-9-purinyl]methyl]benzenesulfonamide IUPAC Name: 4-[[6-[[3-(diethylamino)-2-hydroxypropyl]amino]purin-9-yl]methyl]benzenesulfonamide Traditional Name: 4-[[6-[[3-(diethylamino)-2-hydroxy-propyl]amino]purin-9-yl]methyl]benzenesulfonamide Formula: C19H27N7O3S MolecularWeight: 433.52778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CCN(CC)CC(CNC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C19H27N7O3S/c1-3-25(4-2)11-15(27)9-21-18-17-19(23-12-22-18)26(13-24-17)10-14-5-7-16(8-6-14)30(20,28)29/h5-8,12-13,15,27H,3-4,9-11H2,1-2H3,(H2,20,28,29)(H,21,22,23)