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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 2-diethoxyphosphorylethanoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 2-diethoxyphosphorylacetate CAS Name: 2-diethoxyphosphorylacetic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 2-diethoxyphosphorylacetate Traditional Name: 2-diethoxyphosphorylacetic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C14H22N3O7PS MolecularWeight: 407.379141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)OCC1OC(CS1)N2C=CC(=NC2=O)N)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)OCC1OC(CS1)N2C=CC(=NC2=O)N)OCC

InChI

InChI=1S/C14H22N3O7PS/c1-3-22-25(20,23-4-2)8-12(18)21-7-13-24-11(9-26-13)17-6-5-10(15)16-14(17)19/h5-6,11,13H,3-4,7-9H2,1-2H3,(H2,15,16,19)