(5R)-1-(2-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-1-(2-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-(o-tolyl)-5-(2-piperazin-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-(2-methylphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-(2-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-(o-tolyl)-5-(2-piperazinoethyliminomethyl)barbituric acid Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=O)C=NCCN3CCNCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=O)C=NCCN3CCNCC3

InChI

InChI=1S/C18H23N5O3/c1-13-4-2-3-5-15(13)23-17(25)14(16(24)21-18(23)26)12-20-8-11-22-9-6-19-7-10-22/h2-5,12,14,19H,6-11H2,1H3,(H,21,24,26)/t14-/m1/s1