2-hexylsulfanylpyrimidine-5-carboxylate

Systemtic Name: 2-hexylsulfanylpyrimidine-5-carboxylate Openeye Name: 2-hexylsulfanylpyrimidine-5-carboxylate CAS Name: 2-(hexylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-hexylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(hexylthio)pyrimidine-5-carboxylate Formula: C11H15N2O2S- MolecularWeight: 239.314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=C(C=N1)C(=O)[O-]

Isomeric SMILES

CCCCCCSC1=NC=C(C=N1)C(=O)[O-]

InChI

InChI=1S/C11H16N2O2S/c1-2-3-4-5-6-16-11-12-7-9(8-13-11)10(14)15/h7-8H,2-6H2,1H3,(H,14,15)/p-1