(4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenyl-methanone iodide

Systemtic Name: (4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenyl-methanone iodide Openeye Name: (4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenyl-methanone iodide CAS Name: [4-ethyl-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-yl]-phenylmethanone iodide IUPAC Name: (4-ethyl-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-yl)-phenylmethanone iodide Traditional Name: [4-ethyl-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-yl]-phenyl-methanone iodide Formula: C15H19IN2OS MolecularWeight: 402.29363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=[NH+]1)SC)C)C(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCC1C(=C(NC(=[NH+]1)SC)C)C(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C15H18N2OS.HI/c1-4-12-13(10(2)16-15(17-12)19-3)14(18)11-8-6-5-7-9-11;/h5-9,12H,4H2,1-3H3,(H,16,17);1H