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

Systemtic Name: 4-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride Openeye Name: 4-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride CAS Name: 4-[[[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylamino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 4-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride Traditional Name: 4-[2-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride Formula: C20H18FN7O5S MolecularWeight: 487.464223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

InChI

InChI=1S/C20H18FN7O5S/c21-34(31,32)15-7-1-12(2-8-15)25-20(30)23-9-10-33-14-5-3-13(4-6-14)28-11-24-16-17(28)26-19(22)27-18(16)29/h1-8,11H,9-10H2,(H2,23,25,30)(H3,22,26,27,29)