3-[[3-[(6-oxidanylidene-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[3-[(6-oxidanylidene-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[3-[(6-oxo-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[oxo-[3-[[(6-oxo-5,9-dihydropurin-8-yl)thio]methyl]anilino]methyl]benzenesulfonyl fluoride IUPAC Name: 3-[[3-[(6-oxo-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[3-[[(6-keto-5,9-dihydropurin-8-yl)thio]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C19H14FN5O4S2 MolecularWeight: 459.473963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4C(=NC=NC4=O)N3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4C(=NC=NC4=O)N3

InChI

InChI=1S/C19H14FN5O4S2/c20-31(28,29)14-6-2-4-12(8-14)17(26)23-13-5-1-3-11(7-13)9-30-19-24-15-16(25-19)21-10-22-18(15)27/h1-8,10,15H,9H2,(H,23,26)(H,21,22,24,25,27)