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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-(o-tolyl)barbituric acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=O

InChI

InChI=1S/C18H19N5O3/c1-13-5-2-3-6-15(13)23-17(25)14(16(24)21-18(23)26)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-12,19H,4,7,9H2,1H3,(H,21,24,26)