5-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-bromo-2-hydroxy-3-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9BrN2O4S MolecularWeight: 357.17986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrN2O4S/c1-19-8-4-6(13)2-5(9(8)16)3-7-10(17)14-12(20)15-11(7)18/h2-4,16H,1H3,(H2,14,15,17,18,20)