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

Systemtic Name: (5E)-1-cyclohexyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-cyclohexyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-cyclohexyl-5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-cyclohexyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-cyclohexyl-5-[[2-(methylthio)pyrimidin-5-yl]methylene]barbituric acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3

Isomeric SMILES

CSC1=NC=C(C=N1)/C=C/2\C(=O)NC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C16H18N4O3S/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/h7-9,11H,2-6H2,1H3,(H,19,21,23)/b12-7+