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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=O

InChI

InChI=1S/C18H19N5O3/c24-16-15(11-19-7-4-9-22-10-8-20-13-22)17(25)23(18(26)21-16)12-14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,19H,4,7,9,12H2,(H,21,24,26)