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

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-1-cyclohexyl-barbituric acid Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Br)OCC#C

InChI

InChI=1S/C21H21BrN2O5/c1-3-9-29-18-16(22)11-13(12-17(18)28-2)10-15-19(25)23-21(27)24(20(15)26)14-7-5-4-6-8-14/h1,10-12,14H,4-9H2,2H3,(H,23,25,27)