4-[[3-[(6-oxidanylidene-3,5-dihydropurin-2-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[3-[(6-oxidanylidene-3,5-dihydropurin-2-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[3-[(6-oxo-3,5-dihydropurin-2-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[oxo-[3-[[(6-oxo-3,5-dihydropurin-2-yl)thio]methyl]anilino]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[3-[(6-oxo-3,5-dihydropurin-2-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[3-[[(6-keto-3,5-dihydropurin-2-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=C(C=C2)S(=O)(=O)F)CSC3=NC(=O)C4C(=NC=N4)N3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)CSC3=NC(=O)C4C(=NC=N4)N3

InChI

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