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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)O)C)CC

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)O)C)CC

InChI

InChI=1S/C12H18N2O2S/c1-4-6-7-17-11-10(12(15)16)8(3)13-9(5-2)14-11/h4-7H2,1-3H3,(H,15,16)