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

Systemtic Name: 5-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[3-(1-imidazolyl)propylimino]ethyl]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]barbituric acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-14(21-8-5-10-23-11-9-20-13-23)16-17(25)22-19(27)24(18(16)26)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,13,16H,5,8,10,12H2,1H3,(H,22,25,27)