[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(2-fluoranyl-6-oxidanyl-phenyl)carbonylsulfamate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(2-fluoranyl-6-oxidanyl-phenyl)carbonylsulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-(2-fluoro-6-hydroxy-benzoyl)sulfamate CAS Name: N-[(2-fluoro-6-hydroxyphenyl)-oxomethyl]sulfamic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-fluoro-6-hydroxybenzoyl)sulfamate Traditional Name: N-(2-fluoro-6-hydroxy-benzoyl)sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H17FN6O8S MolecularWeight: 484.415683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)O

InChI

InChI=1S/C17H17FN6O8S/c18-7-2-1-3-8(25)10(7)16(28)23-33(29,30)31-4-9-12(26)13(27)17(32-9)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,9,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1