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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)Br)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)Br)C(=O)NC2=O

InChI

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