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

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-1-(2-furfuryl)barbituric acid Formula: C20H15BrN2O6 MolecularWeight: 459.2469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)Br)OCC#C

InChI

InChI=1S/C20H15BrN2O6/c1-3-6-29-17-15(21)9-12(10-16(17)27-2)8-14-18(24)22-20(26)23(19(14)25)11-13-5-4-7-28-13/h1,4-5,7-10H,6,11H2,2H3,(H,22,24,26)