[(2S,5R)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl pentanoate

Systemtic Name: [(2S,5R)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl pentanoate Openeye Name: [(2S,5R)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl pentanoate CAS Name: pentanoic acid [(2S,5R)-5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl pentanoate Traditional Name: valeric acid [(2S,5R)-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C13H18FN3O4S MolecularWeight: 331.363123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1OC(CS1)N2C=C(C(=NC2=O)N)F

Isomeric SMILES

CCCCC(=O)OC[C@H]1O[C@H](CS1)N2C=C(C(=NC2=O)N)F

InChI

InChI=1S/C13H18FN3O4S/c1-2-3-4-10(18)20-6-11-21-9(7-22-11)17-5-8(14)12(15)16-13(17)19/h5,9,11H,2-4,6-7H2,1H3,(H2,15,16,19)/t9-,11+/m1/s1