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

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-1-(4-chlorophenyl)barbituric acid Formula: C21H14BrClN2O5 MolecularWeight: 489.70326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC#C

InChI

InChI=1S/C21H14BrClN2O5/c1-3-8-30-18-16(22)10-12(11-17(18)29-2)9-15-19(26)24-21(28)25(20(15)27)14-6-4-13(23)5-7-14/h1,4-7,9-11H,8H2,2H3,(H,24,26,28)