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

Systemtic Name: 5-[C-ethyl-N-(3-oxidanylpropyl)carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(3-hydroxypropylimino)propyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1-(o-tolyl)barbituric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCCO)C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C

Isomeric SMILES

CCC(=NCCCO)C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C

InChI

InChI=1S/C17H21N3O4/c1-3-12(18-9-6-10-21)14-15(22)19-17(24)20(16(14)23)13-8-5-4-7-11(13)2/h4-5,7-8,14,21H,3,6,9-10H2,1-2H3,(H,19,22,24)