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

Systemtic Name: ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Openeye Name: ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide CAS Name: 2-(ethylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate iodide Traditional Name: 2-(ethylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester iodide Formula: C16H21IN2O2S MolecularWeight: 432.31961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S.HI/c1-4-20-15(19)13-11(3)17-16(21-5-2)18-14(13)12-9-7-6-8-10-12;/h6-10,14H,4-5H2,1-3H3,(H,17,18);1H