(5S)-1-(furan-2-ylmethyl)-5-(3-imidazol-1-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C(C(=O)NC2=O)C=NCCCN3C=CN=C3

Isomeric SMILES

C1=COC(=C1)CN2C(=O)[C@H](C(=O)NC2=O)C=NCCCN3C=CN=C3

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/h1,3,5,7-9,11,13H,2,4,6,10H2,(H,19,22,24)/t13-/m0/s1