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

Systemtic Name: 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-methyl-2-oxidanyl-propyl)sulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-hydroxy-2-methyl-propyl)sulfamoyl]phenyl]acetic acid CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]acetic acid Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-(2-hydroxy-2-methyl-propyl)sulfamoyl]phenyl]acetic acid Formula: C25H36N6O7S MolecularWeight: 564.65434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O7S/c1-4-5-13-38-23-28-21(26)20-22(29-23)31(24(34)27-20)12-7-6-11-30(16-25(2,3)35)39(36,37)18-10-8-9-17(14-18)15-19(32)33/h8-10,14,35H,4-7,11-13,15-16H2,1-3H3,(H,27,34)(H,32,33)(H2,26,28,29)