4-[2-[(6-azanyl-7H-purin-2-yl)methoxy]ethylcarbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[2-[(6-azanyl-7H-purin-2-yl)methoxy]ethylcarbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[2-[(6-amino-7H-purin-2-yl)methoxy]ethylcarbamoyl]benzenesulfonyl fluoride CAS Name: 4-[[2-[(6-amino-7H-purin-2-yl)methoxy]ethylamino]-oxomethyl]benzenesulfonyl fluoride IUPAC Name: 4-[2-[(6-amino-7H-purin-2-yl)methoxy]ethylcarbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[2-[(6-amino-7H-purin-2-yl)methoxy]ethylcarbamoyl]benzenesulfonyl fluoride Formula: C15H15FN6O4S MolecularWeight: 394.380803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCOCC2=NC3=C(C(=N2)N)NC=N3)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCOCC2=NC3=C(C(=N2)N)NC=N3)S(=O)(=O)F

InChI

InChI=1S/C15H15FN6O4S/c16-27(24,25)10-3-1-9(2-4-10)15(23)18-5-6-26-7-11-21-13(17)12-14(22-11)20-8-19-12/h1-4,8H,5-7H2,(H,18,23)(H3,17,19,20,21,22)