6-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-hydroxy-3,5-dimethoxy-phenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(4-hydroxy-3,5-dimethoxyphenyl)-(2-pyrimidinylamino)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-hydroxy-3,5-dimethoxyphenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-hydroxy-3,5-dimethoxy-phenyl)-(2-pyrimidylamino)methyl]sesamol Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(C2=CC3=C(C=C2O)OCO3)NC4=NC=CC=N4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(C2=CC3=C(C=C2O)OCO3)NC4=NC=CC=N4

InChI

InChI=1S/C20H19N3O6/c1-26-16-6-11(7-17(27-2)19(16)25)18(23-20-21-4-3-5-22-20)12-8-14-15(9-13(12)24)29-10-28-14/h3-9,18,24-25H,10H2,1-2H3,(H,21,22,23)