[(2R,3R,4S,5R)-5-ethynyl-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5R)-5-ethynyl-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5R)-4-benzyloxy-5-(benzyloxymethyl)-5-ethynyl-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5R)-5-ethynyl-2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-5-ethynyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-4-benzoxy-5-(benzoxymethyl)-2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-5-ethynyl-tetrahydrofuran-3-yl] ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)(COCC3=CC=CC=C3)C#C)OCC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@](O2)(COCC3=CC=CC=C3)C#C)OCC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C28H28N2O7/c1-4-28(18-34-16-21-11-7-5-8-12-21)24(35-17-22-13-9-6-10-14-22)23(36-20(3)31)26(37-28)30-15-19(2)25(32)29-27(30)33/h1,5-15,23-24,26H,16-18H2,2-3H3,(H,29,32,33)/t23-,24+,26-,28-/m1/s1