[(2S,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-(hydroxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-2-methylol-tetrahydrofuran-2-yl]methyl ester Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(CC(O2)N3C=CC(=O)NC3=O)O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2([C@H](C[C@@H](O2)N3C=CC(=O)NC3=O)O)CO

InChI

InChI=1S/C17H20N2O8S/c1-11-2-4-12(5-3-11)28(24,25)26-10-17(9-20)13(21)8-15(27-17)19-7-6-14(22)18-16(19)23/h2-7,13,15,20-21H,8-10H2,1H3,(H,18,22,23)/t13-,15+,17-/m0/s1