5-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoyl]-2-methyl-benzenesulfonyl fluoride

Systemtic Name: 5-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoyl]-2-methyl-benzenesulfonyl fluoride Openeye Name: 5-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoyl]-2-methyl-benzenesulfonyl fluoride CAS Name: 5-[[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylamino]-oxomethyl]-2-methylbenzenesulfonyl fluoride IUPAC Name: 5-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoyl]-2-methylbenzenesulfonyl fluoride Traditional Name: 5-[2-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]ethylcarbamoyl]-2-methyl-benzenesulfonyl fluoride Formula: C21H19FN6O5S MolecularWeight: 486.476163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

InChI

InChI=1S/C21H19FN6O5S/c1-12-2-3-13(10-16(12)34(22,31)32)19(29)24-8-9-33-15-6-4-14(5-7-15)28-11-25-17-18(28)26-21(23)27-20(17)30/h2-7,10-11H,8-9H2,1H3,(H,24,29)(H3,23,26,27,30)