3-[[2-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 3-[[2-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 3-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 3-[[oxo-[2-[[(6-oxo-3,7-dihydropurin-8-yl)thio]methyl]anilino]methyl]amino]benzenesulfonyl fluoride IUPAC Name: 3-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 3-[[2-[[(6-keto-3,7-dihydropurin-8-yl)thio]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Formula: C19H15FN6O4S2 MolecularWeight: 474.488603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(N2)C(=O)N=CN3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(N2)C(=O)N=CN3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F

InChI

InChI=1S/C19H15FN6O4S2/c20-32(29,30)13-6-3-5-12(8-13)23-18(28)24-14-7-2-1-4-11(14)9-31-19-25-15-16(26-19)21-10-22-17(15)27/h1-8,10H,9H2,(H2,23,24,28)(H2,21,22,25,26,27)