(2R,3R,4S,5R)-2-[2-azanyl-7-(2-fluoranylethyl)-6-oxidanylidene-3H-purin-9-ium-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate

Systemtic Name: (2R,3R,4S,5R)-2-[2-azanyl-7-(2-fluoranylethyl)-6-oxidanylidene-3H-purin-9-ium-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate Openeye Name: (2R,3R,4S,5R)-2-[2-amino-7-(2-fluoroethyl)-6-oxo-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate CAS Name: (2R,3R,4S,5R)-2-[2-amino-7-(2-fluoroethyl)-6-oxo-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanolate IUPAC Name: (2R,3R,4S,5R)-2-[2-amino-7-(2-fluoroethyl)-6-oxo-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate Traditional Name: (2R,3R,4S,5R)-2-[2-amino-7-(2-fluoroethyl)-6-keto-3H-purin-9-ium-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-olate Formula: C12H16FN5O5 MolecularWeight: 329.284343

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1CCF)C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)[O-]

Isomeric SMILES

C1=[N+](C2=C(N1CCF)C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)[O-]

InChI

InChI=1S/C12H16FN5O5/c13-1-2-17-4-18(9-6(17)10(22)16-12(14)15-9)11-8(21)7(20)5(3-19)23-11/h4-5,7-8,11,19-20H,1-3H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1