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

Systemtic Name: ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 2-(ethylthio)-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethylsulfanyl-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 2-(ethylthio)-3,4-dimethyl-6-phenyl-1,6-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/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/p+1