1,3-dimethyl-5-[[5-(4-nitrophenyl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[[5-(4-nitrophenyl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[5-(4-nitrophenyl)-2-thienyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[5-(4-nitrophenyl)-2-thiophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[[5-(4-nitrophenyl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[[5-(4-nitrophenyl)-2-thienyl]methylene]barbituric acid Formula: C17H13N3O5S MolecularWeight: 371.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C17H13N3O5S/c1-18-15(21)13(16(22)19(2)17(18)23)9-12-7-8-14(26-12)10-3-5-11(6-4-10)20(24)25/h3-9H,1-2H3