4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2-methoxy-6-methyl-phenol

Systemtic Name: 4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2-methoxy-6-methyl-phenol Openeye Name: 4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)vinyl]-2-methoxy-6-methyl-phenol CAS Name: 4-[(E)-1-diethoxyphosphoryl-2-(2-pyrimidinylamino)ethenyl]-2-methoxy-6-methylphenol IUPAC Name: 4-[(E)-1-diethoxyphosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2-methoxy-6-methylphenol Traditional Name: 4-[(E)-1-diethoxyphosphoryl-2-(2-pyrimidylamino)vinyl]-2-methoxy-6-methyl-phenol Formula: C18H24N3O5P MolecularWeight: 393.374021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N3O5P/c1-5-25-27(23,26-6-2)16(12-21-18-19-8-7-9-20-18)14-10-13(3)17(22)15(11-14)24-4/h7-12,22H,5-6H2,1-4H3,(H,19,20,21)/b16-12+