calcium 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

Systemtic Name: calcium 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione Openeye Name: calcium 5-ethyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione CAS Name: calcium 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione IUPAC Name: calcium 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione Traditional Name: calcium 5-ethyl-5-(1-methylbutyl)barbituric acid Formula: C22H36CaN4O6+2 MolecularWeight: 492.62244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.CCCC(C)C1(C(=O)NC(=O)NC1=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