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

Systemtic Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-1,3-dimethyl-barbituric acid Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C15H15N3O6S/c1-16-13(20)10(14(21)17(2)15(16)22)7-9-3-4-12(25-6-5-19)11(8-9)18(23)24/h3-4,7-8,19H,5-6H2,1-2H3