3-[[3-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[3-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[3-[[(6-amino-7H-purin-8-yl)thio]methyl]anilino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[3-[[(6-amino-7H-purin-8-yl)thio]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C19H15FN6O3S2 MolecularWeight: 458.489203

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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=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C19H15FN6O3S2/c20-31(28,29)14-6-2-4-12(8-14)18(27)24-13-5-1-3-11(7-13)9-30-19-25-15-16(21)22-10-23-17(15)26-19/h1-8,10H,9H2,(H,24,27)(H3,21,22,23,25,26)