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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)-1-(2-furfuryl)barbituric acid Formula: C21H17BrN2O6 MolecularWeight: 473.27348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)Br)OCC#C

InChI

InChI=1S/C21H17BrN2O6/c1-3-7-30-18-16(22)10-13(11-17(18)28-4-2)9-15-19(25)23-21(27)24(20(15)26)12-14-6-5-8-29-14/h1,5-6,8-11H,4,7,12H2,2H3,(H,23,25,27)