[(2R,3S,6R)-3-acetyloxy-6-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,6R)-3-acetyloxy-6-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,6R)-3-acetoxy-6-(4-benzamido-2-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,6R)-3-acetyloxy-6-(4-benzamido-2-oxo-1-pyrimidinyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,6R)-3-acetyloxy-6-(4-benzamido-2-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,6R)-3-acetoxy-6-(4-benzamido-2-keto-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H23N3O7/c1-13(25)29-12-17-16(30-14(2)26)8-9-19(31-17)24-11-10-18(23-21(24)28)22-20(27)15-6-4-3-5-7-15/h3-7,10-11,16-17,19H,8-9,12H2,1-2H3,(H,22,23,27,28)/t16-,17+,19+/m0/s1