5-(C-ethyl-N-hexyl-carbonimidoyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(C-ethyl-N-hexyl-carbonimidoyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(C-ethyl-N-hexyl-carbonimidoyl)-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hexyliminopropyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(C-ethyl-N-hexylcarbonimidoyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(C-ethyl-N-hexyl-carbonimidoyl)-1-(o-tolyl)barbituric acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(CC)C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCN=C(CC)C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H27N3O3/c1-4-6-7-10-13-21-15(5-2)17-18(24)22-20(26)23(19(17)25)16-12-9-8-11-14(16)3/h8-9,11-12,17H,4-7,10,13H2,1-3H3,(H,22,24,26)