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

Systemtic Name: 4,6-bis[(4-fluorophenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis[(4-fluorophenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4,6-bis[(4-fluorophenyl)methylthio]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis[(4-fluorophenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4,6-bis[(4-fluorobenzyl)thio]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C20H16F2N2O2S3 MolecularWeight: 450.545046

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)F)C(=O)O)SCC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)F)C(=O)O)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H16F2N2O2S3/c1-27-20-23-17(28-10-12-2-6-14(21)7-3-12)16(19(25)26)18(24-20)29-11-13-4-8-15(22)9-5-13/h2-9H,10-11H2,1H3,(H,25,26)