calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate

Systemtic Name: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate Openeye Name: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate CAS Name: calcium 1-[(4,5-dimethoxy-2-pyrimidinyl)oxy]-4-(dimethylamino)-2H-pyrimidine-2-carboxylate IUPAC Name: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate Traditional Name: calcium 1-(4,5-dimethoxypyrimidin-2-yl)oxy-4-(dimethylamino)-2H-pyrimidine-2-carboxylate Formula: C26H32CaN10O10 MolecularWeight: 684.67128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H17N5O5.Ca/c2*1-17(2)9-5-6-18(10(15-9)12(19)20)23-13-14-7-8(21-3)11(16-13)22-4;/h2*5-7,10H,1-4H3,(H,19,20);/q;;+2/p-2