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

Systemtic Name: 5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[[2-(methylthio)pyrimidin-5-yl]methylene]barbituric acid Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-25-16-18-8-12(9-19-16)7-13-14(22)20-17(24)21(15(13)23)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,22,24)