N-[2-[[2-azanyl-6-(furan-2-yl)purin-9-yl]methyl]phenyl]-1-methyl-imidazole-4-sulfonamide

Systemtic Name: N-[2-[[2-azanyl-6-(furan-2-yl)purin-9-yl]methyl]phenyl]-1-methyl-imidazole-4-sulfonamide Openeye Name: N-[2-[[2-amino-6-(2-furyl)purin-9-yl]methyl]phenyl]-1-methyl-imidazole-4-sulfonamide CAS Name: N-[2-[[2-amino-6-(2-furanyl)-9-purinyl]methyl]phenyl]-1-methyl-4-imidazolesulfonamide IUPAC Name: N-[2-[[2-amino-6-(furan-2-yl)purin-9-yl]methyl]phenyl]-1-methylimidazole-4-sulfonamide Traditional Name: N-[2-[[2-amino-6-(2-furyl)purin-9-yl]methyl]phenyl]-1-methyl-imidazole-4-sulfonamide Formula: C20H18N8O3S MolecularWeight: 450.47372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC=C2CN3C=NC4=C(N=C(N=C43)N)C5=CC=CO5

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC=C2CN3C=NC4=C(N=C(N=C43)N)C5=CC=CO5

InChI

InChI=1S/C20H18N8O3S/c1-27-10-16(22-11-27)32(29,30)26-14-6-3-2-5-13(14)9-28-12-23-18-17(15-7-4-8-31-15)24-20(21)25-19(18)28/h2-8,10-12,26H,9H2,1H3,(H2,21,24,25)