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

Systemtic Name: 1-(4-chlorophenyl)-5-[(2-phenylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(2-phenylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[(2-phenyl-5-pyrimidinyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(2-phenylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-[(2-phenylpyrimidin-5-yl)methylene]barbituric acid Formula: C21H13ClN4O3 MolecularWeight: 404.80592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C=N2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C=N2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN4O3/c22-15-6-8-16(9-7-15)26-20(28)17(19(27)25-21(26)29)10-13-11-23-18(24-12-13)14-4-2-1-3-5-14/h1-12H,(H,25,27,29)