[(2S,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-acetyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2S,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-acetyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2S,4R,5R)-5-(4-acetamido-2-oxo-pyrimidin-1-yl)-4-acetoxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S,4R,5R)-5-(4-acetamido-2-oxo-1-pyrimidinyl)-4-acetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S,4R,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-4-acetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2CC(C(O2)N3C=CC(=NC3=O)NC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-12-4-6-15(7-5-12)20(27)29-11-16-10-17(30-14(3)26)19(31-16)24-9-8-18(22-13(2)25)23-21(24)28/h4-9,16-17,19H,10-11H2,1-3H3,(H,22,23,25,28)/t16-,17+,19+/m0/s1