5-[(2-bromoethylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2-bromoethylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-bromoethylamino)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-bromoethylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-bromoethylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-bromoethylamino)methylene]-1-phenyl-barbituric acid Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CNCCBr)C(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CNCCBr)C(=O)NC2=O

InChI

InChI=1S/C13H12BrN3O3/c14-6-7-15-8-10-11(18)16-13(20)17(12(10)19)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,16,18,20)