4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 4,6-dioxo-1H-pyrimidin-2-olate; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 4,6-dioxo-1H-pyrimidin-2-olate; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 4,6-dioxo-1H-pyrimidin-2-olate; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 4,6-diketo-1H-pyrimidin-2-olate; 5-ethyl-5-phenyl-barbituric acid Formula: C16H15N4O6- MolecularWeight: 359.3135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C1C(=O)NC(=NC1=O)[O-]

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C1C(=O)NC(=NC1=O)[O-]

InChI

InChI=1S/C12H12N2O3.C4H4N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;7-2-1-3(8)6-4(9)5-2/h3-7H,2H2,1H3,(H2,13,14,15,16,17);1H2,(H2,5,6,7,8,9)/p-1