ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate iodide

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate iodide Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate iodide CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate iodide Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester iodide Formula: C16H20IN2O3S- MolecularWeight: 447.31107

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SC)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SC)C.[I-]

InChI

InChI=1S/C16H20N2O3S.HI/c1-5-21-15(19)13-10(2)17-16(22-4)18-14(13)11-6-8-12(20-3)9-7-11;/h6-9,14H,5H2,1-4H3,(H,17,18);1H/p-1