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Nom: 5

IUPAC: [(2R,3R,5R)-2-ethynyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate

SMILES: C#C[C@]1(COC(=O)c2ccccc2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OS(C)(=O)=O

Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)(COC(=O)C3=CC=CC=C3)C#C)OS(=O)(=O)C

Formule moléculaire: C20H20N2O8S

Masse molaire: 448.40

InChIKey: WBWUOQHVLDZUGF-JXXFODFXSA-N

InChI: InChI=1S/C20H20N2O8S/c1-4-20(12-28-18(24)14-8-6-5-7-9-14)15(30-31(3,26)27)10-16(29-20)22-11-13(2)17(23)21-19(22)25/h1,5-9,11,15-16H,10,12H2,2-3H3,(H,21,23,25)/t15-,16-,20-/m1/s1

PubChem CID: 86639219 →

Synonymes

SCHEMBL3321922WBWUOQHVLDZUGF-JXXFODFXSA-N1-[5-O-Benzoyl-2-deoxy-4-ethynyl-3-O-methanesulfonyl-beta-D-threo-pentofuranosyl]thymine

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→