3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride CAS Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride IUPAC Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]sulfamoyl]benzenesulfonyl fluoride Formula: C17H13FN6O5S2 MolecularWeight: 464.450723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C17H13FN6O5S2/c18-30(26,27)12-5-2-6-13(8-12)31(28,29)23-10-3-1-4-11(7-10)24-9-20-14-15(24)21-17(19)22-16(14)25/h1-9,23H,(H3,19,21,22,25)