5-[(3-bromanyl-4-butan-2-yloxy-phenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-bromanyl-4-butan-2-yloxy-phenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-sec-butoxy-phenyl)methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-sec-butoxy-benzylidene)-1-cyclohexyl-barbituric acid Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Br

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Br

InChI

InChI=1S/C21H25BrN2O4/c1-3-13(2)28-18-10-9-14(12-17(18)22)11-16-19(25)23-21(27)24(20(16)26)15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,23,25,27)