3-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[2-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]ethylcarbamoyl]benzenesulfonyl fluoride Formula: C20H17FN6O5S MolecularWeight: 472.449583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C20H17FN6O5S/c21-33(30,31)15-3-1-2-12(10-15)18(28)23-8-9-32-14-6-4-13(5-7-14)27-11-24-16-17(27)25-20(22)26-19(16)29/h1-7,10-11H,8-9H2,(H,23,28)(H3,22,25,26,29)