[5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl methanesulfonate

Systemtic Name: [5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl methanesulfonate Openeye Name: [5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(5-ethynyl-2,4-diketo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C13H16N2O9S2 MolecularWeight: 408.40414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C#C)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C#C)OS(=O)(=O)C

InChI

InChI=1S/C13H16N2O9S2/c1-4-8-6-15(13(17)14-12(8)16)11-5-9(24-26(3,20)21)10(23-11)7-22-25(2,18)19/h1,6,9-11H,5,7H2,2-3H3,(H,14,16,17)