5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol iodide

Systemtic Name: 5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol iodide Openeye Name: 5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol iodide CAS Name: 5-methyl-2-(methylthio)-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol iodide IUPAC Name: 5-methyl-2-methylsulfanyl-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol iodide Traditional Name: 5-methyl-2-(methylthio)-3-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-ol iodide Formula: C12H17IN2OS MolecularWeight: 364.24565

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=[N+](C1O)C2=CC=CC=C2)SC.[I-]

Isomeric SMILES

CC1CNC(=[N+](C1O)C2=CC=CC=C2)SC.[I-]

InChI

InChI=1S/C12H16N2OS.HI/c1-9-8-13-12(16-2)14(11(9)15)10-6-4-3-5-7-10;/h3-7,9,11,15H,8H2,1-2H3;1H