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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCNS(=O)(=O)C3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCNS(=O)(=O)C3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C21H28N6O6S/c1-3-4-11-33-20-25-18(22)17-19(26-20)27(21(29)24-17)10-6-9-23-34(30,31)15-8-5-7-14(12-15)13-16(28)32-2/h5,7-8,12,23H,3-4,6,9-11,13H2,1-2H3,(H,24,29)(H2,22,25,26)