2,4-dimethyl-6-[(4-methylsulfanylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[(4-methylsulfanylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[(4-methylsulfanylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[4-(methylthio)phenyl]methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[(4-methylsulfanylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-[[4-(methylthio)benzyl]thio]pyrimidine-5-carboxylic acid Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C15H16N2O2S2/c1-9-13(15(18)19)14(17-10(2)16-9)21-8-11-4-6-12(20-3)7-5-11/h4-7H,8H2,1-3H3,(H,18,19)