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

Systemtic Name: 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]ethanoate Openeye Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetate CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetate IUPAC Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetate Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetate Formula: C24H33N6O7S- MolecularWeight: 549.61982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCOC)S(=O)(=O)C3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCOC)S(=O)(=O)C3=CC=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C24H34N6O7S/c1-3-4-13-37-23-27-21(25)20-22(28-23)30(24(33)26-20)11-6-5-10-29(12-14-36-2)38(34,35)18-9-7-8-17(15-18)16-19(31)32/h7-9,15H,3-6,10-14,16H2,1-2H3,(H,26,33)(H,31,32)(H2,25,27,28)/p-1