ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide

Systemtic Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Openeye Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide CAS Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Traditional Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide Formula: C15H18BrIN2O2S MolecularWeight: 497.18909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O2S.HI/c1-4-20-14(19)12-9(2)17-15(21-3)18-13(12)10-5-7-11(16)8-6-10;/h5-8,13H,4H2,1-3H3,(H,17,18);1H