calcium 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: calcium 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: calcium 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: calcium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate IUPAC Name: calcium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate Traditional Name: calcium 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C22H34CaN4O6 MolecularWeight: 490.60656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Ca+2]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Ca+2]

InChI

InChI=1S/2C11H18N2O3.Ca/c2*1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h2*7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;;+2/p-2