4-butan-2-ylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-butan-2-ylsulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-sec-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(butan-2-ylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-butan-2-ylsulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-(sec-butylthio)pyrimidine-5-carboxylic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC(C)CC)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC(C)CC)C(=O)O)C

InChI

InChI=1S/C12H18N2O2S/c1-5-7(3)17-11-10(12(15)16)8(4)13-9(6-2)14-11/h7H,5-6H2,1-4H3,(H,15,16)