4-butan-2-ylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-butan-2-ylsulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-sec-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(butan-2-ylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-butan-2-ylsulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(sec-butylthio)pyrimidine-5-carboxylic acid Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCC(C)SC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C11H16N2O2S/c1-5-6(2)16-10-9(11(14)15)7(3)12-8(4)13-10/h6H,5H2,1-4H3,(H,14,15)