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

Systemtic Name: calcium 5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: calcium 5-ethyl-1-methyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione CAS Name: calcium 5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: calcium 5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: calcium 5-ethyl-1-methyl-5-sec-butyl-barbituric acid Formula: C11H18CaN2O3+2 MolecularWeight: 266.35022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.Ca/c1-5-7(3)11(6-2)8(14)12-10(16)13(4)9(11)15;/h7H,5-6H2,1-4H3,(H,12,14,16);/q;+2