4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2,6-dimethoxy-phenol Openeye Name: 4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)vinyl]-2,6-dimethoxy-phenol CAS Name: 4-[(E)-1-diethoxyphosphoryl-2-(2-pyrimidinylamino)ethenyl]-2,6-dimethoxyphenol IUPAC Name: 4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2,6-dimethoxyphenol Traditional Name: 4-[(E)-1-diethoxyphosphoryl-2-(2-pyrimidylamino)vinyl]-2,6-dimethoxy-phenol Formula: C18H24N3O6P MolecularWeight: 409.373421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CNC1=NC=CC=N1)C2=CC(=C(C(=C2)OC)O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/NC1=NC=CC=N1)/C2=CC(=C(C(=C2)OC)O)OC)OCC

InChI

InChI=1S/C18H24N3O6P/c1-5-26-28(23,27-6-2)16(12-21-18-19-8-7-9-20-18)13-10-14(24-3)17(22)15(11-13)25-4/h7-12,22H,5-6H2,1-4H3,(H,19,20,21)/b16-12+