4-azanyl-1-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]pyrimidin-2-one Openeye Name: 4-amino-1-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enyl]pyrimidin-2-one CAS Name: 4-amino-1-[(E)-4-diethoxyphosphoryl-1-(2-oxanyloxy)but-3-enyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]pyrimidin-2-one Traditional Name: 4-amino-1-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enyl]pyrimidin-2-one Formula: C17H28N3O6P MolecularWeight: 401.394481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCC(N1C=CC(=NC1=O)N)OC2CCCCO2)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CC(N1C=CC(=NC1=O)N)OC2CCCCO2)OCC

InChI

InChI=1S/C17H28N3O6P/c1-3-24-27(22,25-4-2)13-7-8-15(26-16-9-5-6-12-23-16)20-11-10-14(18)19-17(20)21/h7,10-11,13,15-16H,3-6,8-9,12H2,1-2H3,(H2,18,19,21)/b13-7+