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

Systemtic Name: 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Openeye Name: 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide IUPAC Name: 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-N-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxamide iodide Formula: C20H22IN3O2S MolecularWeight: 495.37705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S.HI/c1-13-17(19(24)22-15-7-5-4-6-8-15)18(23-20(21-13)26-3)14-9-11-16(25-2)12-10-14;/h4-12,18H,1-3H3,(H,21,23)(H,22,24);1H