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

Systemtic Name: 5-[[3-bromanyl-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]barbituric acid Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O6/c1-2-28-17-12-13(10-15-19(25)23-21(27)24-20(15)26)11-16(22)18(17)30-9-8-29-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9H2,1H3,(H2,23,24,25,26,27)