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

Systemtic Name: 5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-phenylpyrazol-4-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-phenyl-4-pyrazolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-phenylpyrazol-4-yl)methylene]barbituric acid Formula: C14H10N4O3 MolecularWeight: 282.2542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C14H10N4O3/c19-12-11(13(20)17-14(21)16-12)6-9-7-15-18(8-9)10-4-2-1-3-5-10/h1-8H,(H2,16,17,19,20,21)