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

Systemtic Name: 5-(C-ethyl-N-hexyl-carbonimidoyl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-(C-ethyl-N-hexyl-carbonimidoyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hexyliminopropyl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-(C-ethyl-N-hexylcarbonimidoyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-(C-ethyl-N-hexyl-carbonimidoyl)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)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCN=C(CC)C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O3/c1-3-5-6-10-13-21-16(4-2)17-18(24)22-20(26)23(19(17)25)14-15-11-8-7-9-12-15/h7-9,11-12,17H,3-6,10,13-14H2,1-2H3,(H,22,24,26)