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

Systemtic Name: 1-(4-iodophenyl)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-iodophenyl)-5-[(2-methylsulfanylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-iodophenyl)-5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-iodophenyl)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-iodophenyl)-5-[[2-(methylthio)pyrimidin-5-yl]methylene]barbituric acid Formula: C16H11IN4O3S MolecularWeight: 466.25301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H11IN4O3S/c1-25-15-18-7-9(8-19-15)6-12-13(22)20-16(24)21(14(12)23)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,20,22,24)