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

Systemtic Name: 5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-methylsulfanylpyrimidin-5-yl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2-(methylthio)pyrimidin-5-yl]methylene]-1-phenyl-barbituric acid Formula: C16H12N4O3S MolecularWeight: 340.35648

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O3S/c1-24-15-17-8-10(9-18-15)7-12-13(21)19-16(23)20(14(12)22)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,21,23)