4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide

Systemtic Name: 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Openeye Name: 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-N-(o-tolyl)-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide CAS Name: 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide IUPAC Name: 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-N-(o-tolyl)-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Formula: C21H24IN3O2S MolecularWeight: 509.40363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=[NH+]C2C3=CC=C(C=C3)OC)SC)C.[I-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=[NH+]C2C3=CC=C(C=C3)OC)SC)C.[I-]

InChI

InChI=1S/C21H23N3O2S.HI/c1-13-7-5-6-8-17(13)23-20(25)18-14(2)22-21(27-4)24-19(18)15-9-11-16(26-3)12-10-15;/h5-12,19H,1-4H3,(H,22,24)(H,23,25);1H