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

Systemtic Name: (5E)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-5-[(2-methylsulfanylpyrimidin-5-yl)methylene]-1-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-5-[[2-(methylthio)pyrimidin-5-yl]methylene]-1-phenethyl-barbituric acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)/C=C/2\C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-26-17-19-10-13(11-20-17)9-14-15(23)21-18(25)22(16(14)24)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,21,23,25)/b14-9+