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

Systemtic Name: 5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-tert-butyl-2-pyrrolyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(p-tolyl)barbituric acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=O)NC2=O

InChI

InChI=1S/C20H21N3O3/c1-13-7-9-14(10-8-13)23-18(25)16(17(24)21-19(23)26)12-15-6-5-11-22(15)20(2,3)4/h5-12H,1-4H3,(H,21,24,26)