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

Systemtic Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-5-[3-(1-imidazolyl)propyliminomethyl]-1-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-phenethyl-barbituric acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(=O)NC2=O)C=NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)[C@@H](C(=O)NC2=O)C=NCCCN3C=CN=C3

InChI

InChI=1S/C19H21N5O3/c25-17-16(13-20-8-4-10-23-12-9-21-14-23)18(26)24(19(27)22-17)11-7-15-5-2-1-3-6-15/h1-3,5-6,9,12-14,16H,4,7-8,10-11H2,(H,22,25,27)/t16-/m1/s1