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

Systemtic Name: 4-[[[2-(2-azanylethylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[2-(2-aminoethylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[2-(2-aminoethylamino)-9-propan-2-yl-6-purinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[2-(2-aminoethylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[2-(2-aminoethylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzenesulfonamide Formula: C17H24N8O2S MolecularWeight: 404.48986

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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)NCCN

Isomeric SMILES

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

InChI

InChI=1S/C17H24N8O2S/c1-11(2)25-10-22-14-15(23-17(20-8-7-18)24-16(14)25)21-9-12-3-5-13(6-4-12)28(19,26)27/h3-6,10-11H,7-9,18H2,1-2H3,(H2,19,26,27)(H2,20,21,23,24)