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

Systemtic Name: methyl 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]acetate CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methylsulfamoyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methylsulfamoyl]phenyl]acetate Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-methyl-sulfamoyl]phenyl]acetic acid methyl ester Formula: C23H32N6O6S MolecularWeight: 520.60178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(C)S(=O)(=O)C3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(C)S(=O)(=O)C3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C23H32N6O6S/c1-4-5-13-35-22-26-20(24)19-21(27-22)29(23(31)25-19)12-7-6-11-28(2)36(32,33)17-10-8-9-16(14-17)15-18(30)34-3/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,25,31)(H2,24,26,27)