4-[2-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]amino]-2-oxidanylidene-ethyl]benzenesulfonyl fluoride

Systemtic Name: 4-[2-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]amino]-2-oxidanylidene-ethyl]benzenesulfonyl fluoride Openeye Name: 4-[2-[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-2-oxo-ethyl]benzenesulfonyl fluoride CAS Name: 4-[2-[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-2-oxoethyl]benzenesulfonyl fluoride IUPAC Name: 4-[2-[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-2-oxoethyl]benzenesulfonyl fluoride Traditional Name: 4-[2-[3-(2-amino-6-keto-3H-purin-9-yl)anilino]-2-keto-ethyl]benzenesulfonyl fluoride Formula: C19H15FN6O4S MolecularWeight: 442.423603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C19H15FN6O4S/c20-31(29,30)14-6-4-11(5-7-14)8-15(27)23-12-2-1-3-13(9-12)26-10-22-16-17(26)24-19(21)25-18(16)28/h1-7,9-10H,8H2,(H,23,27)(H3,21,24,25,28)