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

Systemtic Name: 3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]-4-chloranyl-benzenesulfonyl fluoride Openeye Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]-4-chloro-benzenesulfonyl fluoride CAS Name: 3-[[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]amino]-4-chlorobenzenesulfonyl fluoride IUPAC Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]-4-chlorobenzenesulfonyl fluoride Traditional Name: 3-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoylamino]-4-chloro-benzenesulfonyl fluoride Formula: C18H13ClFN7O4S MolecularWeight: 477.856723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)F)Cl)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)F)Cl)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C18H13ClFN7O4S/c19-12-5-4-11(32(20,30)31)7-13(12)24-18(29)23-9-2-1-3-10(6-9)27-8-22-14-15(27)25-17(21)26-16(14)28/h1-8H,(H2,23,24,29)(H3,21,25,26,28)