2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylsulfamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylsulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylsulfamoyl]phenyl]acetic acid CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylsulfamoyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylsulfamoyl]phenyl]acetic acid Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylsulfamoyl]phenyl]acetic acid Formula: C21H28N6O6S MolecularWeight: 492.54862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNS(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNS(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C21H28N6O6S/c1-2-3-11-33-20-25-18(22)17-19(26-20)27(21(30)24-17)10-5-4-9-23-34(31,32)15-8-6-7-14(12-15)13-16(28)29/h6-8,12,23H,2-5,9-11,13H2,1H3,(H,24,30)(H,28,29)(H2,22,25,26)