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

Systemtic Name: 5-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride Openeye Name: 5-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride CAS Name: 5-[[[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylamino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride IUPAC Name: 5-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-2-methylbenzenesulfonyl fluoride Traditional Name: 5-[2-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride Formula: C21H20FN7O5S MolecularWeight: 501.490803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN7O5S/c1-12-2-3-13(10-16(12)35(22,32)33)26-21(31)24-8-9-34-15-6-4-14(5-7-15)29-11-25-17-18(29)27-20(23)28-19(17)30/h2-7,10-11H,8-9H2,1H3,(H2,24,26,31)(H3,23,27,28,30)