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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)C

InChI

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