S-ethyl 2-[5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanethioate

Systemtic Name: S-ethyl 2-[5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanethioate Openeye Name: S-ethyl 2-[5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethanethioate CAS Name: 2-[5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethanethioate Traditional Name: 2-[5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethanethioic acid S-ethyl ester Formula: C12H16FN3O6S MolecularWeight: 349.335343

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(C1C(C(C(O1)N2C=C(C(=NC2=O)N)F)O)O)O

Isomeric SMILES

CCSC(=O)C(C1C(C(C(O1)N2C=C(C(=NC2=O)N)F)O)O)O

InChI

InChI=1S/C12H16FN3O6S/c1-2-23-11(20)7(19)8-5(17)6(18)10(22-8)16-3-4(13)9(14)15-12(16)21/h3,5-8,10,17-19H,2H2,1H3,(H2,14,15,21)