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

Systemtic Name: 5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(3-imidazol-1-ylpropylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[3-(1-imidazolyl)propylamino]propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(3-imidazol-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(3-imidazol-1-ylpropylamino)propylidene]barbituric acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)NC1=O)NCCCN2C=CN=C2

Isomeric SMILES

CCC(=C1C(=O)NC(=O)NC1=O)NCCCN2C=CN=C2

InChI

InChI=1S/C13H17N5O3/c1-2-9(10-11(19)16-13(21)17-12(10)20)15-4-3-6-18-7-5-14-8-18/h5,7-8,15H,2-4,6H2,1H3,(H2,16,17,19,20,21)