2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]ethanoate

Systemtic Name: 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]ethanoate Openeye Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]acetate CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methylsulfamoyl]phenyl]acetate IUPAC Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methylsulfamoyl]phenyl]acetate Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]acetate Formula: C22H29N6O6S- MolecularWeight: 505.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(C)S(=O)(=O)C3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(C)S(=O)(=O)C3=CC=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C22H30N6O6S/c1-3-4-12-34-21-25-19(23)18-20(26-21)28(22(31)24-18)11-6-5-10-27(2)35(32,33)16-9-7-8-15(13-16)14-17(29)30/h7-9,13H,3-6,10-12,14H2,1-2H3,(H,24,31)(H,29,30)(H2,23,25,26)/p-1