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

Systemtic Name: 5-[(5-bromanyl-2-octoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-2-octoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-2-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromo-2-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-bromo-2-octoxy-benzylidene)barbituric acid Formula: C19H23BrN2O4 MolecularWeight: 423.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C19H23BrN2O4/c1-2-3-4-5-6-7-10-26-16-9-8-14(20)11-13(16)12-15-17(23)21-19(25)22-18(15)24/h8-9,11-12H,2-7,10H2,1H3,(H2,21,22,23,24,25)