5-[(5-bromanyl-1H-indol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(5-bromanyl-1H-indol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-1H-indol-3-yl)methylene]-1-(4-ethylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-1H-indol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromo-1H-indol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-bromo-1H-indol-3-yl)methylene]-1-(4-ethylphenyl)barbituric acid Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CNC4=C3C=C(C=C4)Br)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CNC4=C3C=C(C=C4)Br)C(=O)NC2=O

InChI

InChI=1S/C21H16BrN3O3/c1-2-12-3-6-15(7-4-12)25-20(27)17(19(26)24-21(25)28)9-13-11-23-18-8-5-14(22)10-16(13)18/h3-11,23H,2H2,1H3,(H,24,26,28)