4-azanyl-1-[[(E)-4-diethoxyphosphoryl-1-oxidanyl-but-3-en-2-yl]oxymethyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[[(E)-4-diethoxyphosphoryl-1-oxidanyl-but-3-en-2-yl]oxymethyl]pyrimidin-2-one Openeye Name: 4-amino-1-[[(E)-3-diethoxyphosphoryl-1-(hydroxymethyl)allyloxy]methyl]pyrimidin-2-one CAS Name: 4-amino-1-[[(E)-4-diethoxyphosphoryl-1-hydroxybut-3-en-2-yl]oxymethyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[[(E)-4-diethoxyphosphoryl-1-hydroxybut-3-en-2-yl]oxymethyl]pyrimidin-2-one Traditional Name: 4-amino-1-[[(E)-3-diethoxyphosphoryl-1-methylol-allyloxy]methyl]pyrimidin-2-one Formula: C13H22N3O6P MolecularWeight: 347.304041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC(CO)OCN1C=CC(=NC1=O)N)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C(CO)OCN1C=CC(=NC1=O)N)OCC

InChI

InChI=1S/C13H22N3O6P/c1-3-21-23(19,22-4-2)8-6-11(9-17)20-10-16-7-5-12(14)15-13(16)18/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,14,15,18)/b8-6+