6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide

Systemtic Name: 6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Openeye Name: 6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide CAS Name: 6-methyl-2-(methylthio)-N,4-diphenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide IUPAC Name: 6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Traditional Name: 6-methyl-2-(methylthio)-N,4-diphenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Formula: C19H20IN3OS MolecularWeight: 465.35107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)SC)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=C(C([NH+]=C(N1)SC)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H19N3OS.HI/c1-13-16(18(23)21-15-11-7-4-8-12-15)17(22-19(20-13)24-2)14-9-5-3-6-10-14;/h3-12,17H,1-2H3,(H,20,22)(H,21,23);1H