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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)N=C1[O-])C(C)C.CCN1C(=O)C(C(=O)N=C1[O-])C(C)C.[Ca+2]

Isomeric SMILES

CCN1C(=O)C(C(=O)N=C1[O-])C(C)C.CCN1C(=O)C(C(=O)N=C1[O-])C(C)C.[Ca+2]

InChI

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