ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate iodide

Systemtic Name: ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate iodide Openeye Name: ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate iodide CAS Name: 2-(ethylthio)-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate iodide Traditional Name: 2-(ethylthio)-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide Formula: C17H23IN2O2S MolecularWeight: 446.34619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(NC1C2=CC=CC=C2)SCC)C)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(NC1C2=CC=CC=C2)SCC)C)C.[I-]

InChI

InChI=1S/C17H22N2O2S.HI/c1-5-21-16(20)14-12(3)19(4)17(22-6-2)18-15(14)13-10-8-7-9-11-13;/h7-11,15H,5-6H2,1-4H3;1H