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

Systemtic Name: 5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[3-(1-imidazolyl)propylimino]propyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-1-(o-tolyl)barbituric acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCCN1C=CN=C1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3C

Isomeric SMILES

CCC(=NCCCN1C=CN=C1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3C

InChI

InChI=1S/C20H23N5O3/c1-3-15(22-9-6-11-24-12-10-21-13-24)17-18(26)23-20(28)25(19(17)27)16-8-5-4-7-14(16)2/h4-5,7-8,10,12-13,17H,3,6,9,11H2,1-2H3,(H,23,26,28)