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

Systemtic Name: 2-[3-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl-methyl-sulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-methyl-sulfamoyl]phenyl]acetic acid CAS Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-methylsulfamoyl]phenyl]acetic acid IUPAC Name: 2-[3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-methylsulfamoyl]phenyl]acetic acid Traditional Name: 2-[3-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl-methyl-sulfamoyl]phenyl]acetic acid Formula: C20H26N6O6S MolecularWeight: 478.52204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN(C)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN(C)S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C20H26N6O6S/c1-3-4-10-32-19-23-17(21)16-18(24-19)26(20(29)22-16)9-8-25(2)33(30,31)14-7-5-6-13(11-14)12-15(27)28/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,22,29)(H,27,28)(H2,21,23,24)