ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-3-(p-tolylsulfonyl)-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-2-(methylthio)-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-phenyl-3-tosyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)SC)C

InChI

InChI=1S/C22H24N2O4S2/c1-5-28-21(25)19-16(3)23-22(29-4)24(20(19)17-9-7-6-8-10-17)30(26,27)18-13-11-15(2)12-14-18/h6-14,20H,5H2,1-4H3