4-[(3,5-dimethylphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3,5-dimethylphenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3,5-dimethylbenzyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC(=NC(=C2C(=O)O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC(=NC(=C2C(=O)O)C)C)C

InChI

InChI=1S/C16H18N2O2S/c1-9-5-10(2)7-13(6-9)8-21-15-14(16(19)20)11(3)17-12(4)18-15/h5-7H,8H2,1-4H3,(H,19,20)