5-bromanyl-2-ethylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-bromanyl-2-ethylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-bromo-2-ethylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(ethylthio)-4-pyrimidinecarboxylate IUPAC Name: 5-bromo-2-ethylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-(ethylthio)pyrimidine-4-carboxylate Formula: C7H6BrN2O2S- MolecularWeight: 262.10374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)[O-])Br

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)[O-])Br

InChI

InChI=1S/C7H7BrN2O2S/c1-2-13-7-9-3-4(8)5(10-7)6(11)12/h3H,2H2,1H3,(H,11,12)/p-1