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

Systemtic Name: 5-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]barbituric acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3/c1-13-7-9-14(10-8-13)18-15(11-17-19(26)22-21(28)23-20(17)27)12-25(24-18)16-5-3-2-4-6-16/h2-12H,1H3,(H2,22,23,26,27,28)