4-(3,3-dimethylbutylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3,3-dimethylbutylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3,3-dimethylbutylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3,3-dimethylbutylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3,3-dimethylbutylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(3,3-dimethylbutylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H22N2O2S MolecularWeight: 282.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCC(C)(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCC(C)(C)C)C(=O)O)C

InChI

InChI=1S/C14H22N2O2S/c1-6-10-15-9(2)11(13(17)18)12(16-10)19-8-7-14(3,4)5/h6-8H2,1-5H3,(H,17,18)