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

Systemtic Name: 5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[3-(1-imidazolyl)propylimino]propyl]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]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)CC3=CC=CC=C3

Isomeric SMILES

CCC(=NCCCN1C=CN=C1)C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3/c1-2-16(22-9-6-11-24-12-10-21-14-24)17-18(26)23-20(28)25(19(17)27)13-15-7-4-3-5-8-15/h3-5,7-8,10,12,14,17H,2,6,9,11,13H2,1H3,(H,23,26,28)