bis[[(2R,5S)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] pentanedioate

Systemtic Name: bis[[(2R,5S)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] pentanedioate Openeye Name: bis[[(2R,5S)-5-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] pentanedioate CAS Name: pentanedioic acid bis[[(2R,5S)-5-(4-acetamido-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl] ester IUPAC Name: bis[[(2R,5S)-5-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] pentanedioate Traditional Name: glutaric acid bis[[(2R,5S)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl] ester Formula: C25H30N6O10S2 MolecularWeight: 638.6699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(O2)COC(=O)CCCC(=O)OCC3OC(CS3)N4C=CC(=NC4=O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2CS[C@@H](O2)COC(=O)CCCC(=O)OC[C@@H]3O[C@@H](CS3)N4C=CC(=NC4=O)NC(=O)C

InChI

InChI=1S/C25H30N6O10S2/c1-14(32)26-16-6-8-30(24(36)28-16)18-12-42-22(40-18)10-38-20(34)4-3-5-21(35)39-11-23-41-19(13-43-23)31-9-7-17(27-15(2)33)29-25(31)37/h6-9,18-19,22-23H,3-5,10-13H2,1-2H3,(H,26,28,32,36)(H,27,29,33,37)/t18-,19-,22+,23+/m0/s1