3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 3-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoyl]benzenesulfonyl fluoride CAS Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 3-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 3-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoyl]benzenesulfonyl fluoride Formula: C18H13FN6O4S MolecularWeight: 428.397023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=CC(=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=CC(=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C18H13FN6O4S/c19-30(28,29)13-6-1-3-10(7-13)16(26)22-11-4-2-5-12(8-11)25-9-21-14-15(25)23-18(20)24-17(14)27/h1-9H,(H,22,26)(H3,20,23,24,27)