ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide

Systemtic Name: ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Openeye Name: ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide CAS Name: 4-(2,4-dimethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Traditional Name: 4-(2,4-dimethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide Formula: C17H23IN2O4S MolecularWeight: 478.34499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=C(C=C(C=C2)OC)OC)SC)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+]C1C2=C(C=C(C=C2)OC)OC)SC)C.[I-]

InChI

InChI=1S/C17H22N2O4S.HI/c1-6-23-16(20)14-10(2)18-17(24-5)19-15(14)12-8-7-11(21-3)9-13(12)22-4;/h7-9,15H,6H2,1-5H3,(H,18,19);1H