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

Systemtic Name: 5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-bromo-2-propargyloxy-benzylidene)-1-(o-tolyl)barbituric acid Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC#C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC#C)C(=O)NC2=O

InChI

InChI=1S/C21H15BrN2O4/c1-3-10-28-18-9-8-15(22)11-14(18)12-16-19(25)23-21(27)24(20(16)26)17-7-5-4-6-13(17)2/h1,4-9,11-12H,10H2,2H3,(H,23,25,27)