2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate; tris(2-hydroxyethyl)azanium Openeye Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate; tris(2-hydroxyethyl)ammonium CAS Name: 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate; tris(2-hydroxyethyl)azanium Traditional Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate; tris(2-hydroxyethyl)ammonium Formula: C25H33N5O11 MolecularWeight: 579.55642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.C(CO)[NH+](CCO)CCO

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C19H18N4O8.C6H15NO3/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;8-4-1-7(2-5-9)3-6-10/h5-9H,1-4H3,(H,24,25);8-10H,1-6H2