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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)barbituric acid Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCC#C

InChI

InChI=1S/C16H13BrN2O5/c1-3-5-24-13-11(17)7-9(8-12(13)23-4-2)6-10-14(20)18-16(22)19-15(10)21/h1,6-8H,4-5H2,2H3,(H2,18,19,20,21,22)