4-[[2-[(6-oxidanylidene-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[2-[(6-oxidanylidene-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[2-[(6-oxo-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[oxo-[2-[[(6-oxo-5,9-dihydropurin-8-yl)thio]methyl]anilino]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[2-[(6-oxo-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[2-[[(6-keto-5,9-dihydropurin-8-yl)thio]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C19H14FN5O4S2 MolecularWeight: 459.473963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3C(=NC=NC3=O)N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3C(=NC=NC3=O)N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C19H14FN5O4S2/c20-31(28,29)13-7-5-11(6-8-13)17(26)23-14-4-2-1-3-12(14)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)