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

Systemtic Name: 2-[[5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl]butanoate Openeye Name: 2-[[5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl]butanoate CAS Name: 2-[[5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl]butanoate IUPAC Name: 2-[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl]butanoate Traditional Name: 2-[[5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl]butyrate Formula: C12H15FN3O4S- MolecularWeight: 316.328603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1OC(CS1)N2C=C(C(=NC2=O)N)F)C(=O)[O-]

Isomeric SMILES

CCC(CC1OC(CS1)N2C=C(C(=NC2=O)N)F)C(=O)[O-]

InChI

InChI=1S/C12H16FN3O4S/c1-2-6(11(17)18)3-9-20-8(5-21-9)16-4-7(13)10(14)15-12(16)19/h4,6,8-9H,2-3,5H2,1H3,(H,17,18)(H2,14,15,19)/p-1