[5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl diethoxyphosphorylmethanoate

Systemtic Name: [5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl diethoxyphosphorylmethanoate Openeye Name: [5-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl diethoxyphosphorylformate CAS Name: diethoxyphosphorylformic acid [5-(4-acetamido-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [5-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl diethoxyphosphorylformate Traditional Name: diethoxyphosphorylformic acid [5-(4-acetamido-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C15H22N3O8PS MolecularWeight: 435.389241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=O)OCC1OC(CS1)N2C=CC(=NC2=O)NC(=O)C)OCC

Isomeric SMILES

CCOP(=O)(C(=O)OCC1OC(CS1)N2C=CC(=NC2=O)NC(=O)C)OCC

InChI

InChI=1S/C15H22N3O8PS/c1-4-24-27(22,25-5-2)15(21)23-8-13-26-12(9-28-13)18-7-6-11(16-10(3)19)17-14(18)20/h6-7,12-13H,4-5,8-9H2,1-3H3,(H,16,17,19,20)