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

Systemtic Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C15H18BrN2O2S+ MolecularWeight: 370.28462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O2S/c1-4-20-14(19)12-9(2)17-15(21-3)18-13(12)10-5-7-11(16)8-6-10/h5-8,13H,4H2,1-3H3,(H,17,18)/p+1