5-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoyl]-2-methyl-benzenesulfonyl fluoride

Systemtic Name: 5-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoyl]-2-methyl-benzenesulfonyl fluoride Openeye Name: 5-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoyl]-2-methyl-benzenesulfonyl fluoride CAS Name: 5-[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]-2-methylbenzenesulfonyl fluoride IUPAC Name: 5-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoyl]-2-methylbenzenesulfonyl fluoride Traditional Name: 5-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoyl]-2-methyl-benzenesulfonyl fluoride Formula: C19H15FN6O4S MolecularWeight: 442.423603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

InChI

InChI=1S/C19H15FN6O4S/c1-10-5-6-11(7-14(10)31(20,29)30)17(27)23-12-3-2-4-13(8-12)26-9-22-15-16(26)24-19(21)25-18(15)28/h2-9H,1H3,(H,23,27)(H3,21,24,25,28)