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

Systemtic Name: 4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Openeye Name: 4-(4-fluorophenyl)-6-methyl-2-methylsulfanyl-N-(o-tolyl)-1,4-dihydropyrimidin-3-ium-5-carboxamide CAS Name: 4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxamide IUPAC Name: 4-(4-fluorophenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxamide Traditional Name: 4-(4-fluorophenyl)-6-methyl-2-(methylthio)-N-(o-tolyl)-1,4-dihydropyrimidin-3-ium-5-carboxamide Formula: C20H21FN3OS+ MolecularWeight: 370.463643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=[NH+]C2C3=CC=C(C=C3)F)SC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=[NH+]C2C3=CC=C(C=C3)F)SC)C

InChI

InChI=1S/C20H20FN3OS/c1-12-6-4-5-7-16(12)23-19(25)17-13(2)22-20(26-3)24-18(17)14-8-10-15(21)11-9-14/h4-11,18H,1-3H3,(H,22,24)(H,23,25)/p+1