[(2R,3S,5R)-3-fluoranyl-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl 12-azidododecanoate

Systemtic Name: [(2R,3S,5R)-3-fluoranyl-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl 12-azidododecanoate Openeye Name: [(2R,3S,5R)-3-fluoro-5-(5-methyl-4-oxo-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 12-azidododecanoate CAS Name: 12-azidododecanoic acid [(2R,3S,5R)-3-fluoro-5-(5-methyl-4-oxo-2-sulfanylidene-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-fluoro-5-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl 12-azidododecanoate Traditional Name: 12-azidolauric acid [(2R,3S,5R)-3-fluoro-5-(4-keto-5-methyl-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C22H34FN5O4S MolecularWeight: 483.599863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=S)NC1=O)C2CC(C(O2)COC(=O)CCCCCCCCCCCN=[N+]=[N-])F

Isomeric SMILES

CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCN=[N+]=[N-])F

InChI

InChI=1S/C22H34FN5O4S/c1-16-14-28(22(33)26-21(16)30)19-13-17(23)18(32-19)15-31-20(29)11-9-7-5-3-2-4-6-8-10-12-25-27-24/h14,17-19H,2-13,15H2,1H3,(H,26,30,33)/t17-,18+,19+/m0/s1