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

Systemtic Name: 3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoyl]-4-chloranyl-benzenesulfonyl fluoride Openeye Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoyl]-4-chloro-benzenesulfonyl fluoride CAS Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]-4-chlorobenzenesulfonyl fluoride IUPAC Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoyl]-4-chlorobenzenesulfonyl fluoride Traditional Name: 3-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoyl]-4-chloro-benzenesulfonyl fluoride Formula: C18H12ClFN6O4S MolecularWeight: 462.842083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClFN6O4S/c19-13-5-4-11(31(20,29)30)7-12(13)16(27)23-9-2-1-3-10(6-9)26-8-22-14-15(26)24-18(21)25-17(14)28/h1-8H,(H,23,27)(H3,21,24,25,28)