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

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C15H19N2O2S+ MolecularWeight: 291.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=CC=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC=CC=C2)SC)C

InChI

InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(2)16-15(20-3)17-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,17)/p+1