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

Systemtic Name: 3-[3-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]propylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[3-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]propylcarbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[3-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]propylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[3-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]propylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[3-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]propylcarbamoyl]benzenesulfonyl fluoride Formula: C21H19FN6O5S MolecularWeight: 486.476163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NCCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C21H19FN6O5S/c22-34(31,32)16-4-1-3-13(11-16)19(29)24-9-2-10-33-15-7-5-14(6-8-15)28-12-25-17-18(28)26-21(23)27-20(17)30/h1,3-8,11-12H,2,9-10H2,(H,24,29)(H3,23,26,27,30)