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

Systemtic Name: calcium 5-butan-2-yl-5-ethyl-1-methyl-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: calcium 5-ethyl-1-methyl-4,6-dioxo-5-sec-butyl-pyrimidin-2-olate CAS Name: calcium 5-butan-2-yl-5-ethyl-1-methyl-4,6-dioxo-2-pyrimidinolate IUPAC Name: calcium 5-butan-2-yl-5-ethyl-1-methyl-4,6-dioxopyrimidin-2-olate Traditional Name: calcium 5-ethyl-4,6-diketo-1-methyl-5-sec-butyl-pyrimidin-2-olate Formula: C22H34CaN4O6 MolecularWeight: 490.60656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(=O)N=C(N(C1=O)C)[O-])CC.CCC(C)C1(C(=O)N=C(N(C1=O)C)[O-])CC.[Ca+2]

Isomeric SMILES

CCC(C)C1(C(=O)N=C(N(C1=O)C)[O-])CC.CCC(C)C1(C(=O)N=C(N(C1=O)C)[O-])CC.[Ca+2]

InChI

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