2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4,6-bis(benzylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4,6-bis(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4,6-bis(benzylsulfanyl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4,6-bis(benzylthio)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)