4-[[[2-(2-hydroxyethylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[2-(2-hydroxyethylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[2-(2-hydroxyethylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[2-(2-hydroxyethylamino)-9-propan-2-yl-6-purinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[2-(2-hydroxyethylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[2-(2-hydroxyethylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzenesulfonamide Formula: C17H23N7O3S MolecularWeight: 405.47462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)S(=O)(=O)N)NCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)S(=O)(=O)N)NCCO

InChI

InChI=1S/C17H23N7O3S/c1-11(2)24-10-21-14-15(22-17(19-7-8-25)23-16(14)24)20-9-12-3-5-13(6-4-12)28(18,26)27/h3-6,10-11,25H,7-9H2,1-2H3,(H2,18,26,27)(H2,19,20,22,23)