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

Systemtic Name: 5-[(3-bromanyl-4-prop-2-ynoxy-phenyl)methylidene]-1-(3-chloranyl-4-methyl-phenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-prop-2-ynoxy-phenyl)methylene]-1-(3-chloro-4-methyl-phenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-propargyloxy-benzylidene)-1-(3-chloro-4-methyl-phenyl)barbituric acid Formula: C21H14BrClN2O4 MolecularWeight: 473.70386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrClN2O4/c1-3-8-29-18-7-5-13(10-16(18)22)9-15-19(26)24-21(28)25(20(15)27)14-6-4-12(2)17(23)11-14/h1,4-7,9-11H,8H2,2H3,(H,24,26,28)