calcium 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(dimethylamino)pyridine-2-carboxylate

Systemtic Name: calcium 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(dimethylamino)pyridine-2-carboxylate Openeye Name: calcium 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(dimethylamino)pyridine-2-carboxylate CAS Name: calcium 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-(dimethylamino)-2-pyridinecarboxylate IUPAC Name: calcium 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(dimethylamino)pyridine-2-carboxylate Traditional Name: calcium 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(dimethylamino)picolinate Formula: C28H30CaN8O10 MolecularWeight: 678.6634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)[O-].CN(C)C1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)[O-].[Ca+2]

Isomeric SMILES

CN(C)C1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)[O-].CN(C)C1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H16N4O5.Ca/c2*1-18(2)9-6-5-8(12(15-9)13(19)20)23-14-16-10(21-3)7-11(17-14)22-4;/h2*5-7H,1-4H3,(H,19,20);/q;;+2/p-2