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

Systemtic Name: 4,6-bis[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4,6-bis[(4-methoxyphenyl)methylthio]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4,6-bis(p-anisylthio)pyrimidine-5-carboxylic acid Formula: C22H22N2O4S3 MolecularWeight: 474.61608

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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)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S3/c1-27-16-8-4-14(5-9-16)12-30-19-18(21(25)26)20(24-22(23-19)29-3)31-13-15-6-10-17(28-2)11-7-15/h4-11H,12-13H2,1-3H3,(H,25,26)