(5S)-5-(4-methylpentyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-5-(4-methylpentyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-5-(isohexyliminomethyl)-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-5-(4-methylpentyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-5-(4-methylpentyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-5-(isohexyliminomethyl)-1-(o-tolyl)barbituric acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-12(2)7-6-10-19-11-14-16(22)20-18(24)21(17(14)23)15-9-5-4-8-13(15)3/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,20,22,24)/t14-/m0/s1