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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)S(=O)(=O)F

InChI

InChI=1S/C21H19FN6O5S/c22-34(31,32)16-8-2-13(3-9-16)19(29)24-10-1-11-33-15-6-4-14(5-7-15)28-12-25-17-18(28)26-21(23)27-20(17)30/h2-9,12H,1,10-11H2,(H,24,29)(H3,23,26,27,30)