[6-[(4-acetyloxy-3,5-dimethoxy-phenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] ethanoate

Systemtic Name: [6-[(4-acetyloxy-3,5-dimethoxy-phenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] ethanoate Openeye Name: [6-[(4-acetoxy-3,5-dimethoxy-phenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] acetate CAS Name: acetic acid [6-[(4-acetyloxy-3,5-dimethoxyphenyl)-(2-pyrimidinylamino)methyl]-1,3-benzodioxol-5-yl] ester IUPAC Name: [6-[(4-acetyloxy-3,5-dimethoxyphenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-yl] acetate Traditional Name: acetic acid [6-[(4-acetoxy-3,5-dimethoxy-phenyl)-(2-pyrimidylamino)methyl]-1,3-benzodioxol-5-yl] ester Formula: C24H23N3O8 MolecularWeight: 481.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1C(C3=CC(=C(C(=C3)OC)OC(=O)C)OC)NC4=NC=CC=N4)OCO2

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1C(C3=CC(=C(C(=C3)OC)OC(=O)C)OC)NC4=NC=CC=N4)OCO2

InChI

InChI=1S/C24H23N3O8/c1-13(28)34-17-11-19-18(32-12-33-19)10-16(17)22(27-24-25-6-5-7-26-24)15-8-20(30-3)23(35-14(2)29)21(9-15)31-4/h5-11,22H,12H2,1-4H3,(H,25,26,27)