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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-(4-iodophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-(4-iodophenyl)barbituric acid Formula: C17H16IN5O3 MolecularWeight: 465.24511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=O)I

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=O)I

InChI

InChI=1S/C17H16IN5O3/c18-12-2-4-13(5-3-12)23-16(25)14(15(24)21-17(23)26)10-19-6-1-8-22-9-7-20-11-22/h2-5,7,9-11,19H,1,6,8H2,(H,21,24,26)