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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromo-3-methylphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-(3-methoxy-4-propargyloxy-benzylidene)barbituric acid Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O5/c1-4-9-30-18-8-5-14(12-19(18)29-3)11-16-20(26)24-22(28)25(21(16)27)15-6-7-17(23)13(2)10-15/h1,5-8,10-12H,9H2,2-3H3,(H,24,26,28)