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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-methyl-barbituric acid Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)NC1=O

Isomeric SMILES

CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)NC1=O

InChI

InChI=1S/C12H15N5O3/c1-16-11(19)9(10(18)15-12(16)20)7-13-3-2-5-17-6-4-14-8-17/h4,6-8,13H,2-3,5H2,1H3,(H,15,18,20)