(5R)-1-hexyl-5-(3-imidazol-1-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-1-hexyl-5-(3-imidazol-1-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-hexyl-5-(3-imidazol-1-ylpropyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-hexyl-5-[3-(1-imidazolyl)propyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-hexyl-5-(3-imidazol-1-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-hexyl-5-(3-imidazol-1-ylpropyliminomethyl)barbituric acid Formula: C17H25N5O3 MolecularWeight: 347.4121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=O)NC1=O)C=NCCCN2C=CN=C2

Isomeric SMILES

CCCCCCN1C(=O)[C@@H](C(=O)NC1=O)C=NCCCN2C=CN=C2

InChI

InChI=1S/C17H25N5O3/c1-2-3-4-5-10-22-16(24)14(15(23)20-17(22)25)12-18-7-6-9-21-11-8-19-13-21/h8,11-14H,2-7,9-10H2,1H3,(H,20,23,25)/t14-/m1/s1