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

Systemtic Name: calcium 5-ethyl-4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-olate Openeye Name: calcium 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate CAS Name: calcium 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate IUPAC Name: calcium 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate Traditional Name: calcium 5-ethyl-4,6-diketo-5-phenyl-1H-pyrimidin-2-olate Formula: C24H22CaN4O6 MolecularWeight: 502.53268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Ca+2]

Isomeric SMILES

CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Ca+2]

InChI

InChI=1S/2C12H12N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2