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

Systemtic Name: 5-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-phenyl-barbituric acid Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN4O3/c1-13-16(18(22)26(24-13)15-10-6-3-7-11-15)12-17-19(27)23-21(29)25(20(17)28)14-8-4-2-5-9-14/h2-12H,1H3,(H,23,27,29)