sodium 3-bromanyl-N-(6-methoxy-5-oxidanidylperoxysulfanyl-pyrazin-2-yl)propanamide

Systemtic Name: sodium 3-bromanyl-N-(6-methoxy-5-oxidanidylperoxysulfanyl-pyrazin-2-yl)propanamide Openeye Name: sodium 3-bromo-N-(6-methoxy-5-oxidoperoxysulfanyl-pyrazin-2-yl)propanamide CAS Name: sodium 5-[(3-bromo-1-oxopropyl)amino]-3-methoxy-2-pyrazinesulfenic acid oxidooxy ester IUPAC Name: sodium 3-bromo-N-(6-methoxy-5-oxidoperoxysulfanylpyrazin-2-yl)propanamide Traditional Name: sodium 3-bromo-N-[6-methoxy-5-(oxidoperoxythio)pyrazin-2-yl]propionamide Formula: C8H9BrN3NaO5S MolecularWeight: 362.13293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CN=C1SOO[O-])NC(=O)CCBr.[Na+]

Isomeric SMILES

COC1=NC(=CN=C1SOO[O-])NC(=O)CCBr.[Na+]

InChI

InChI=1S/C8H10BrN3O5S.Na/c1-15-7-8(18-17-16-14)10-4-5(12-7)11-6(13)2-3-9;/h4,14H,2-3H2,1H3,(H,11,12,13);/q;+1/p-1