7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-prop-2-ynoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-prop-2-ynoxy-3H-2-benzofuran-1-one Openeye Name: 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-prop-2-ynoxy-3H-isobenzofuran-1-one CAS Name: 7-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-prop-2-ynoxy-3H-isobenzofuran-1-one IUPAC Name: 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-prop-2-ynoxy-3H-2-benzofuran-1-one Traditional Name: 7-(4,6-dimethoxypyrimidin-2-yl)oxy-3-propargyloxy-phthalide Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC3=C2C(=O)OC3OCC#C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC3=C2C(=O)OC3OCC#C)OC

InChI

InChI=1S/C17H14N2O6/c1-4-8-23-16-10-6-5-7-11(14(10)15(20)25-16)24-17-18-12(21-2)9-13(19-17)22-3/h1,5-7,9,16H,8H2,2-3H3