1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylene]barbituric acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=O)C

InChI

InChI=1S/C21H21N3O3/c1-14-10-15(2)12-17(11-14)24-20(26)18(19(25)23-21(24)27)13-22-9-8-16-6-4-3-5-7-16/h3-7,10-13,22H,8-9H2,1-2H3,(H,23,25,27)