1-(4-bromophenyl)-5-(2-tert-butylsulfanylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-(2-tert-butylsulfanylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-(2-tert-butylsulfanylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[2-(tert-butylthio)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-(2-tert-butylsulfanylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-[2-(tert-butylthio)ethyliminomethyl]barbituric acid Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCN=CC1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)SCCN=CC1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-17(2,3)25-9-8-19-10-13-14(22)20-16(24)21(15(13)23)12-6-4-11(18)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,22,24)