ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide CAS Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Traditional Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide Formula: C15H19IN2O2S MolecularWeight: 418.29303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=CC=C2)SC)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=CC=C2)SC)C.[I-]

InChI

InChI=1S/C15H18N2O2S.HI/c1-4-19-14(18)12-10(2)16-15(20-3)17-13(12)11-8-6-5-7-9-11;/h5-9,13H,4H2,1-3H3,(H,16,17);1H