[(Z)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-(pyrimidin-2-ylamino)ethenyl]phosphonic acid

Systemtic Name: [(Z)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-(pyrimidin-2-ylamino)ethenyl]phosphonic acid Openeye Name: [(Z)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(pyrimidin-2-ylamino)vinyl]phosphonic acid CAS Name: [(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2-pyrimidinylamino)ethenyl]phosphonic acid IUPAC Name: [(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(pyrimidin-2-ylamino)ethenyl]phosphonic acid Traditional Name: [(Z)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(2-pyrimidylamino)vinyl]phosphonic acid Formula: C14H16N3O6P MolecularWeight: 353.267101

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=CNC2=NC=CC=N2)P(=O)(O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C(=C/NC2=NC=CC=N2)/P(=O)(O)O

InChI

InChI=1S/C14H16N3O6P/c1-22-10-6-9(7-11(23-2)13(10)18)12(24(19,20)21)8-17-14-15-4-3-5-16-14/h3-8,18H,1-2H3,(H,15,16,17)(H2,19,20,21)/b12-8-