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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-octoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-ethoxy-4-octoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-ethoxy-4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-ethoxy-4-octoxy-benzylidene)barbituric acid Formula: C21H27BrN2O5 MolecularWeight: 467.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=O)NC2=O)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=O)NC2=O)OCC

InChI

InChI=1S/C21H27BrN2O5/c1-3-5-6-7-8-9-10-29-18-16(22)12-14(13-17(18)28-4-2)11-15-19(25)23-21(27)24-20(15)26/h11-13H,3-10H2,1-2H3,(H2,23,24,25,26,27)