[(2R,3R,4S)-4-acetyloxy-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S)-4-acetyloxy-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4S)-4-acetoxy-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S)-4-acetyloxy-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S)-4-acetyloxy-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S)-4-acetoxy-5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-11(25)29-16-14(10-24)31-19(17(16)30-12(2)26)23-9-8-15(22-20(23)28)21-18(27)13-6-4-3-5-7-13/h3-9,14,16-17,19,24H,10H2,1-2H3,(H,21,22,27,28)/t14-,16-,17+,19?/m1/s1