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

Systemtic Name: 1,3-dimethyl-5-[(5-nitro-2-thiomorpholin-4-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(5-nitro-2-thiomorpholino-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(5-nitro-2-thiomorpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(5-nitro-2-thiomorpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(5-nitro-2-thiomorpholino-benzylidene)barbituric acid Formula: C17H18N4O5S MolecularWeight: 390.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCSCC3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCSCC3)C(=O)N(C1=O)C

InChI

InChI=1S/C17H18N4O5S/c1-18-15(22)13(16(23)19(2)17(18)24)10-11-9-12(21(25)26)3-4-14(11)20-5-7-27-8-6-20/h3-4,9-10H,5-8H2,1-2H3