2-butylsulfanylpyrimidine-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C=N1)C(=O)O

Isomeric SMILES

CCCCSC1=NC=C(C=N1)C(=O)O

InChI

InChI=1S/C9H12N2O2S/c1-2-3-4-14-9-10-5-7(6-11-9)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)