4-[(4-fluorophenyl)methylsulfanyl]-6-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-fluorophenyl)methylthio]-6-[(4-methoxyphenyl)methylthio]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-fluorophenyl)methylsulfanyl]-6-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-fluorobenzyl)thio]-2-(methylthio)-6-(p-anisylthio)pyrimidine-5-carboxylic acid Formula: C21H19FN2O3S3 MolecularWeight: 462.580563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SC)SCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SC)SCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H19FN2O3S3/c1-27-16-9-5-14(6-10-16)12-30-19-17(20(25)26)18(23-21(24-19)28-2)29-11-13-3-7-15(22)8-4-13/h3-10H,11-12H2,1-2H3,(H,25,26)