ethyl 4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-bromophenyl)methylthio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromophenyl)methylsulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(4-bromobenzyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19BrN2O2S/c1-3-26-21(25)18-14(2)23-19(16-7-5-4-6-8-16)24-20(18)27-13-15-9-11-17(22)12-10-15/h4-12H,3,13H2,1-2H3