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

Systemtic Name: 5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-[[2-(methylthio)pyrimidin-5-yl]methylene]barbituric acid Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3S/c1-3-4-17-11(19)9(10(18)16-13(17)20)5-8-6-14-12(21-2)15-7-8/h3,5-7H,1,4H2,2H3,(H,16,18,20)