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

Systemtic Name: [5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dimethoxyphosphorylmethanoate Openeye Name: [5-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dimethoxyphosphorylformate CAS Name: dimethoxyphosphorylformic 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 dimethoxyphosphorylformate Traditional Name: dimethoxyphosphorylformic acid [5-(4-acetamido-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C13H18N3O8PS MolecularWeight: 407.336081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(O2)COC(=O)P(=O)(OC)OC

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(O2)COC(=O)P(=O)(OC)OC

InChI

InChI=1S/C13H18N3O8PS/c1-8(17)14-9-4-5-16(12(18)15-9)10-7-26-11(24-10)6-23-13(19)25(20,21-2)22-3/h4-5,10-11H,6-7H2,1-3H3,(H,14,15,17,18)