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

Systemtic Name: 3-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-methoxy-benzenesulfonyl fluoride Openeye Name: 3-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-methoxy-benzenesulfonyl fluoride CAS Name: 3-[[[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylamino]-oxomethyl]amino]-4-methoxybenzenesulfonyl fluoride IUPAC Name: 3-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-methoxybenzenesulfonyl fluoride Traditional Name: 3-[2-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-methoxy-benzenesulfonyl fluoride Formula: C21H20FN7O6S MolecularWeight: 517.490203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)F)NC(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)F)NC(=O)NCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C21H20FN7O6S/c1-34-16-7-6-14(36(22,32)33)10-15(16)26-21(31)24-8-9-35-13-4-2-12(3-5-13)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)