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

Systemtic Name: 5-[(1-adamantylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-adamantylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-adamantylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-adamantylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-adamantylamino)methylene]-1-(o-tolyl)barbituric acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC34CC5CC(C3)CC(C5)C4)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNC34CC5CC(C3)CC(C5)C4)C(=O)NC2=O

InChI

InChI=1S/C22H25N3O3/c1-13-4-2-3-5-18(13)25-20(27)17(19(26)24-21(25)28)12-23-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16,23H,6-11H2,1H3,(H,24,26,28)