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

Systemtic Name: 5-[[3-bromanyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)benzylidene]barbituric acid Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCCOC3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O6/c1-27-16-11-12(9-14-18(24)22-20(26)23-19(14)25)10-15(21)17(16)29-8-7-28-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,23,24,25,26)