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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)OCC#C

InChI

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