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

Systemtic Name: 5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methylene]-1-(m-tolyl)barbituric acid Formula: C22H18N4O4 MolecularWeight: 402.40272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(NN(C3=O)C4=CC=CC=C4)C)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(NN(C3=O)C4=CC=CC=C4)C)C(=O)NC2=O

InChI

InChI=1S/C22H18N4O4/c1-13-7-6-10-16(11-13)25-20(28)18(19(27)23-22(25)30)12-17-14(2)24-26(21(17)29)15-8-4-3-5-9-15/h3-12,24H,1-2H3,(H,23,27,30)