calcium 5-ethyl-5-phenyl-1-(phenylcarbonyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: calcium 5-ethyl-5-phenyl-1-(phenylcarbonyl)-1,3-diazinane-2,4,6-trione Openeye Name: calcium 1-benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: calcium 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: calcium 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: calcium 1-benzoyl-5-ethyl-5-phenyl-barbituric acid Formula: C19H16CaN2O4+2 MolecularWeight: 376.41934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Ca+2]

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Ca+2]

InChI

InChI=1S/C19H16N2O4.Ca/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13;/h3-12H,2H2,1H3,(H,20,23,25);/q;+2