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

Systemtic Name: 1-(furan-2-ylmethyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(3-imidazol-1-ylpropylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-furanylmethyl)-5-[[3-(1-imidazolyl)propylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(furan-2-ylmethyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-[(3-imidazol-1-ylpropylamino)methylene]barbituric acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4/c22-14-13(9-17-4-2-6-20-7-5-18-11-20)15(23)21(16(24)19-14)10-12-3-1-8-25-12/h1,3,5,7-9,11,17H,2,4,6,10H2,(H,19,22,24)