3-[[3-[(6-azanyl-5H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride

Systemtic Name: 3-[[3-[(6-azanyl-5H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Openeye Name: 3-[[3-[(6-amino-5H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride CAS Name: 3-[[[3-[[(6-amino-5H-purin-8-yl)thio]methyl]anilino]-oxomethyl]amino]benzenesulfonyl fluoride IUPAC Name: 3-[[3-[(6-amino-5H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Traditional Name: 3-[[3-[[(6-amino-5H-purin-8-yl)thio]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride Formula: C19H16FN7O3S2 MolecularWeight: 473.503843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4C(=NC=NC4=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4C(=NC=NC4=N3)N

InChI

InChI=1S/C19H16FN7O3S2/c20-32(29,30)14-6-2-5-13(8-14)25-18(28)24-12-4-1-3-11(7-12)9-31-19-26-15-16(21)22-10-23-17(15)27-19/h1-8,10,15H,9H2,(H2,24,25,28)(H2,21,22,23,26,27)