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

Systemtic Name: 3-[2-[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-chloranyl-benzenesulfonyl fluoride Openeye Name: 3-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-chloro-benzenesulfonyl fluoride CAS Name: 3-[[[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylamino]-oxomethyl]amino]-4-chlorobenzenesulfonyl fluoride IUPAC Name: 3-[2-[4-(2-amino-6-oxo-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-chlorobenzenesulfonyl fluoride Traditional Name: 3-[2-[4-(2-amino-6-keto-3H-purin-9-yl)phenoxy]ethylcarbamoylamino]-4-chloro-benzenesulfonyl fluoride Formula: C20H17ClFN7O5S MolecularWeight: 521.909283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC3=C2NC(=NC3=O)N)OCCNC(=O)NC4=C(C=CC(=C4)S(=O)(=O)F)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=NC3=C2NC(=NC3=O)N)OCCNC(=O)NC4=C(C=CC(=C4)S(=O)(=O)F)Cl

InChI

InChI=1S/C20H17ClFN7O5S/c21-14-6-5-13(35(22,32)33)9-15(14)26-20(31)24-7-8-34-12-3-1-11(2-4-12)29-10-25-16-17(29)27-19(23)28-18(16)30/h1-6,9-10H,7-8H2,(H2,24,26,31)(H3,23,27,28,30)