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

Systemtic Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]barbituric acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-])SCCO

InChI

InChI=1S/C13H11N3O6S/c17-3-4-23-10-2-1-7(6-9(10)16(21)22)5-8-11(18)14-13(20)15-12(8)19/h1-2,5-6,17H,3-4H2,(H2,14,15,18,19,20)