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

Systemtic Name: 5-(N-hexyl-C-methyl-carbonimidoyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(N-hexyl-C-methyl-carbonimidoyl)-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hexyliminoethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(N-hexyl-C-methylcarbonimidoyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(N-hexyl-C-methyl-carbonimidoyl)-1-(o-tolyl)barbituric acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-4-5-6-9-12-20-14(3)16-17(23)21-19(25)22(18(16)24)15-11-8-7-10-13(15)2/h7-8,10-11,16H,4-6,9,12H2,1-3H3,(H,21,23,25)