[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(5-bromanyl-4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)oxan-3-yl] ethanoate

Systemtic Name: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(5-bromanyl-4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)oxan-3-yl] ethanoate Openeye Name: [(3R,4S,5R,6R)-4,5-diacetoxy-6-(5-bromo-4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[5-bromo-4-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(5-bromo-4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3R,4S,5R,6R)-4,5-diacetoxy-6-[5-bromo-6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]tetrahydropyran-3-yl] ester Formula: C17H21BrN2O8S MolecularWeight: 493.32624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC)C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC)[C@H]2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C)Br

InChI

InChI=1S/C17H21BrN2O8S/c1-7-12(18)15(24)20(17(19-7)29-5)16-14(28-10(4)23)13(27-9(3)22)11(6-25-16)26-8(2)21/h11,13-14,16H,6H2,1-5H3/t11-,13+,14-,16-/m1/s1