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

Systemtic Name: calcium 5-ethyl-4,6-bis(oxidanylidene)-5-propan-2-yl-1H-pyrimidin-2-olate Openeye Name: calcium 5-ethyl-5-isopropyl-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: calcium 5-ethyl-4,6-dioxo-5-propan-2-yl-1H-pyrimidin-2-olate IUPAC Name: calcium 5-ethyl-4,6-dioxo-5-propan-2-yl-1H-pyrimidin-2-olate Traditional Name: calcium 5-ethyl-5-isopropyl-4,6-diketo-1H-pyrimidin-2-olate Formula: C18H26CaN4O6 MolecularWeight: 434.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=NC1=O)[O-])C(C)C.CCC1(C(=O)NC(=NC1=O)[O-])C(C)C.[Ca+2]

Isomeric SMILES

CCC1(C(=O)NC(=NC1=O)[O-])C(C)C.CCC1(C(=O)NC(=NC1=O)[O-])C(C)C.[Ca+2]

InChI

InChI=1S/2C9H14N2O3.Ca/c2*1-4-9(5(2)3)6(12)10-8(14)11-7(9)13;/h2*5H,4H2,1-3H3,(H2,10,11,12,13,14);/q;;+2/p-2