2-butan-2-ylsulfanylpyrimidine-5-carboxylic acid

Systemtic Name: 2-butan-2-ylsulfanylpyrimidine-5-carboxylic acid Openeye Name: 2-sec-butylsulfanylpyrimidine-5-carboxylic acid CAS Name: 2-(butan-2-ylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-butan-2-ylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(sec-butylthio)pyrimidine-5-carboxylic acid Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC=C(C=N1)C(=O)O

Isomeric SMILES

CCC(C)SC1=NC=C(C=N1)C(=O)O

InChI

InChI=1S/C9H12N2O2S/c1-3-6(2)14-9-10-4-7(5-11-9)8(12)13/h4-6H,3H2,1-2H3,(H,12,13)