5-bromanyl-2-[(4-methylphenyl)methylsulfanyl]-N-(6-methylpyridin-2-yl)pyrimidin-1-ium-4-carboxamide

Systemtic Name: 5-bromanyl-2-[(4-methylphenyl)methylsulfanyl]-N-(6-methylpyridin-2-yl)pyrimidin-1-ium-4-carboxamide Openeye Name: 5-bromo-N-(6-methyl-2-pyridyl)-2-(p-tolylmethylsulfanyl)pyrimidin-1-ium-4-carboxamide CAS Name: 5-bromo-2-[(4-methylphenyl)methylthio]-N-(6-methyl-2-pyridinyl)-4-pyrimidin-1-iumcarboxamide IUPAC Name: 5-bromo-2-[(4-methylphenyl)methylsulfanyl]-N-(6-methylpyridin-2-yl)pyrimidin-1-ium-4-carboxamide Traditional Name: 5-bromo-2-[(4-methylbenzyl)thio]-N-(6-methyl-2-pyridyl)pyrimidin-1-ium-4-carboxamide Formula: C19H18BrN4OS+ MolecularWeight: 430.34142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=[NH+]C=C(C(=N2)C(=O)NC3=CC=CC(=N3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=[NH+]C=C(C(=N2)C(=O)NC3=CC=CC(=N3)C)Br

InChI

InChI=1S/C19H17BrN4OS/c1-12-6-8-14(9-7-12)11-26-19-21-10-15(20)17(24-19)18(25)23-16-5-3-4-13(2)22-16/h3-10H,11H2,1-2H3,(H,22,23,25)/p+1