5-[(4-bromophenyl)amino]-1,3-diazinane-2,4,6-trione; ethanoic acid

Systemtic Name: 5-[(4-bromophenyl)amino]-1,3-diazinane-2,4,6-trione; ethanoic acid Openeye Name: acetic acid; 5-(4-bromoanilino)hexahydropyrimidine-2,4,6-trione CAS Name: acetic acid; 5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione IUPAC Name: acetic acid; 5-(4-bromoanilino)-1,3-diazinane-2,4,6-trione Traditional Name: acetic acid; 5-(4-bromoanilino)barbituric acid Formula: C12H12BrN3O5 MolecularWeight: 358.14478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1NC2C(=O)NC(=O)NC2=O)Br

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1NC2C(=O)NC(=O)NC2=O)Br

InChI

InChI=1S/C10H8BrN3O3.C2H4O2/c11-5-1-3-6(4-2-5)12-7-8(15)13-10(17)14-9(7)16;1-2(3)4/h1-4,7,12H,(H2,13,14,15,16,17);1H3,(H,3,4)