2-[3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylsulfamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylsulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylsulfamoyl]phenyl]acetic acid CAS Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylsulfamoyl]phenyl]acetic acid IUPAC Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylsulfamoyl]phenyl]acetic acid Traditional Name: 2-[3-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylsulfamoyl]phenyl]acetic acid Formula: C19H24N6O6S MolecularWeight: 464.49546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNS(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNS(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C19H24N6O6S/c1-2-3-9-31-18-23-16(20)15-17(24-18)25(19(28)22-15)8-7-21-32(29,30)13-6-4-5-12(10-13)11-14(26)27/h4-6,10,21H,2-3,7-9,11H2,1H3,(H,22,28)(H,26,27)(H2,20,23,24)