5-[[(5-bromanylpyridin-1-ium-2-yl)amino]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[(5-bromanylpyridin-1-ium-2-yl)amino]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(5-bromopyridin-1-ium-2-yl)amino]methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[(5-bromo-2-pyridin-1-iumyl)amino]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(5-bromopyridin-1-ium-2-yl)amino]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(5-bromopyridin-1-ium-2-yl)amino]methylene]-1-(m-tolyl)barbituric acid Formula: C17H14BrN4O3+ MolecularWeight: 402.22206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNC3=[NH+]C=C(C=C3)Br)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNC3=[NH+]C=C(C=C3)Br)C(=O)NC2=O

InChI

InChI=1S/C17H13BrN4O3/c1-10-3-2-4-12(7-10)22-16(24)13(15(23)21-17(22)25)9-20-14-6-5-11(18)8-19-14/h2-9H,1H3,(H,19,20)(H,21,23,25)/p+1