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

Systemtic Name: 5-[(5-butyl-4-nitro-thiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-butyl-4-nitro-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-butyl-4-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-butyl-4-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-butyl-4-nitro-2-thienyl)methylene]barbituric acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(S1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(S1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-2-3-4-10-9(16(20)21)6-7(22-10)5-8-11(17)14-13(19)15-12(8)18/h5-6H,2-4H2,1H3,(H2,14,15,17,18,19)