5-bromanyl-2-ethylsulfonyl-N-(6-methylpyridin-2-yl)pyrimidin-1-ium-4-carboxamide

Systemtic Name: 5-bromanyl-2-ethylsulfonyl-N-(6-methylpyridin-2-yl)pyrimidin-1-ium-4-carboxamide Openeye Name: 5-bromo-2-ethylsulfonyl-N-(6-methyl-2-pyridyl)pyrimidin-1-ium-4-carboxamide CAS Name: 5-bromo-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-1-iumcarboxamide IUPAC Name: 5-bromo-2-ethylsulfonyl-N-(6-methylpyridin-2-yl)pyrimidin-1-ium-4-carboxamide Traditional Name: 5-bromo-2-esyl-N-(6-methyl-2-pyridyl)pyrimidin-1-ium-4-carboxamide Formula: C13H14BrN4O3S+ MolecularWeight: 386.24426

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=[NH+]C=C(C(=N1)C(=O)NC2=CC=CC(=N2)C)Br

Isomeric SMILES

CCS(=O)(=O)C1=[NH+]C=C(C(=N1)C(=O)NC2=CC=CC(=N2)C)Br

InChI

InChI=1S/C13H13BrN4O3S/c1-3-22(20,21)13-15-7-9(14)11(18-13)12(19)17-10-6-4-5-8(2)16-10/h4-7H,3H2,1-2H3,(H,16,17,19)/p+1