2-[(2S,5R)-5-(4-azanyl-5-fluoranyl-2-oxidanyl-2H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]-2-methyl-butanoic acid

Systemtic Name: 2-[(2S,5R)-5-(4-azanyl-5-fluoranyl-2-oxidanyl-2H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]-2-methyl-butanoic acid Openeye Name: 2-[(2S,5R)-5-(4-amino-5-fluoro-2-hydroxy-2H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]-2-methyl-butanoic acid CAS Name: 2-[(2S,5R)-5-(4-amino-5-fluoro-2-hydroxy-2H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]-2-methylbutanoic acid IUPAC Name: 2-[(2S,5R)-5-(4-amino-5-fluoro-2-hydroxy-2H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]-2-methylbutanoic acid Traditional Name: 2-[(2S,5R)-5-(4-amino-5-fluoro-2-hydroxy-2H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]-2-methyl-butyric acid Formula: C12H18FN3O4S MolecularWeight: 319.352423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1OC(CS1)N2C=C(C(=NC2O)N)F)C(=O)O

Isomeric SMILES

CCC(C)([C@H]1O[C@H](CS1)N2C=C(C(=NC2O)N)F)C(=O)O

InChI

InChI=1S/C12H18FN3O4S/c1-3-12(2,9(17)18)10-20-7(5-21-10)16-4-6(13)8(14)15-11(16)19/h4,7,10-11,19H,3,5H2,1-2H3,(H2,14,15)(H,17,18)/t7-,10+,11?,12?/m1/s1