2-ethyl-4-methyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-pentylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-(pentylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-pentylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(amylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=NC(=C1C(=O)O)C)CC

Isomeric SMILES

CCCCCSC1=NC(=NC(=C1C(=O)O)C)CC

InChI

InChI=1S/C13H20N2O2S/c1-4-6-7-8-18-12-11(13(16)17)9(3)14-10(5-2)15-12/h4-8H2,1-3H3,(H,16,17)