4-[(E)-1-di(propan-2-yloxy)phosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[(E)-1-di(propan-2-yloxy)phosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2,6-dimethoxy-phenol Openeye Name: 4-[(E)-1-diisopropoxyphosphoryl-2-(pyrimidin-2-ylamino)vinyl]-2,6-dimethoxy-phenol CAS Name: 4-[(E)-1-di(propan-2-yloxy)phosphoryl-2-(2-pyrimidinylamino)ethenyl]-2,6-dimethoxyphenol IUPAC Name: 4-[(E)-1-di(propan-2-yloxy)phosphoryl-2-(pyrimidin-2-ylamino)ethenyl]-2,6-dimethoxyphenol Traditional Name: 4-[(E)-1-diisopropoxyphosphoryl-2-(2-pyrimidylamino)vinyl]-2,6-dimethoxy-phenol Formula: C20H28N3O6P MolecularWeight: 437.426581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C(=CNC1=NC=CC=N1)C2=CC(=C(C(=C2)OC)O)OC)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N3O6P/c1-13(2)28-30(25,29-14(3)4)18(12-23-20-21-8-7-9-22-20)15-10-16(26-5)19(24)17(11-15)27-6/h7-14,24H,1-6H3,(H,21,22,23)/b18-12+