[5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 2-dimethoxyphosphorylethanoate

Systemtic Name: [5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 2-dimethoxyphosphorylethanoate Openeye Name: [3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-dimethoxyphosphorylacetate CAS Name: 2-dimethoxyphosphorylacetic acid [3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-dimethoxyphosphorylacetate Traditional Name: 2-dimethoxyphosphorylacetic acid [3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C13H18IN2O9P MolecularWeight: 504.168251

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)I)O)OC

Isomeric SMILES

COP(=O)(CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)I)O)OC

InChI

InChI=1S/C13H18IN2O9P/c1-22-26(21,23-2)6-11(18)24-5-9-8(17)3-10(25-9)16-4-7(14)12(19)15-13(16)20/h4,8-10,17H,3,5-6H2,1-2H3,(H,15,19,20)