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

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[2-oxidanyl-4-(trifluoromethyl)phenyl]carbonylsulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-[2-hydroxy-4-(trifluoromethyl)benzoyl]sulfamate CAS Name: N-[[2-hydroxy-4-(trifluoromethyl)phenyl]-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-hydroxy-4-(trifluoromethyl)benzoyl]sulfamate Traditional Name: N-[2-hydroxy-4-(trifluoromethyl)benzoyl]sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H17F3N6O8S MolecularWeight: 534.42319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)O)C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C18H17F3N6O8S/c19-18(20,21)7-1-2-8(9(28)3-7)16(31)26-36(32,33)34-4-10-12(29)13(30)17(35-10)27-6-25-11-14(22)23-5-24-15(11)27/h1-3,5-6,10,12-13,17,28-30H,4H2,(H,26,31)(H2,22,23,24)/t10-,12-,13-,17-/m1/s1