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

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-6-[(4-methylphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-6-(p-tolylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-6-[(4-methylphenyl)methylthio]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-6-[(4-methylphenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-methylbenzyl)thio]-2-(methylthio)-6-(p-anisylthio)pyrimidine-5-carboxylic acid Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SC)SCC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SC)SCC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H22N2O3S3/c1-14-4-6-15(7-5-14)12-29-19-18(21(25)26)20(24-22(23-19)28-3)30-13-16-8-10-17(27-2)11-9-16/h4-11H,12-13H2,1-3H3,(H,25,26)