5-bromanyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: 5-bromanyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: 2-benzylsulfanyl-5-bromo-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(phenylmethylthio)-4-pyrimidinecarboxylate IUPAC Name: 2-benzylsulfanyl-5-bromopyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-bromo-pyrimidine-4-carboxylate Formula: C12H8BrN2O2S- MolecularWeight: 324.17312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Br

InChI

InChI=1S/C12H9BrN2O2S/c13-9-6-14-12(15-10(9)11(16)17)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)/p-1