5-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]barbituric acid Formula: C17H14IN3O3 MolecularWeight: 435.21583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C17H14IN3O3/c1-9-7-11(8-14-15(22)19-17(24)20-16(14)23)10(2)21(9)13-5-3-12(18)4-6-13/h3-8H,1-2H3,(H2,19,20,22,23,24)