[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-[4-oxidanyl-3,4-bis(oxidanylidene)butyl]sulfanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-[4-oxidanyl-3,4-bis(oxidanylidene)butyl]sulfanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-(4-hydroxy-3,4-dioxo-butyl)-methyl-sulfonium; 2,2,2-trifluoroacetate CAS Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-(4-hydroxy-3,4-dioxobutyl)-methylsulfonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(4-hydroxy-3,4-dioxobutyl)-methylsulfanium; 2,2,2-trifluoroacetate Traditional Name: [(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-(4-hydroxy-3,4-diketo-butyl)-methyl-sulfonium; 2,2,2-trifluoroacetate Formula: C17H20F3N5O8S MolecularWeight: 513.422152

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC(=O)C(=O)O)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

[14CH3][S+](CCC(=O)C(=O)O)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C15H19N5O6S.C2HF3O2/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20;3-2(4,5)1(6)7/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25);(H,6,7)/t8-,10-,11-,14-,27?;/m1./s1/i1+2;