4-[(4-tert-butylphenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-tert-butylphenyl)methylthio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)C(C)(C)C)C(=O)O)C

InChI

InChI=1S/C19H24N2O2S/c1-6-15-20-12(2)16(18(22)23)17(21-15)24-11-13-7-9-14(10-8-13)19(3,4)5/h7-10H,6,11H2,1-5H3,(H,22,23)