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

Systemtic Name: 1-butyl-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[(1-phenylpyrazol-4-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[(1-phenyl-4-pyrazolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[(1-phenylpyrazol-4-yl)methylene]barbituric acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C(=O)NC1=O

InChI

InChI=1S/C18H18N4O3/c1-2-3-9-21-17(24)15(16(23)20-18(21)25)10-13-11-19-22(12-13)14-7-5-4-6-8-14/h4-8,10-12H,2-3,9H2,1H3,(H,20,23,25)