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

Systemtic Name: methyl 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylsulfamoyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylsulfamoyl]phenyl]acetate CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylsulfamoyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylsulfamoyl]phenyl]acetate Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylsulfamoyl]phenyl]acetic acid methyl ester Formula: C22H30N6O6S MolecularWeight: 506.5752

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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)OC

Isomeric SMILES

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

InChI

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