Basic information
- Standard SMILES
CSc1nc(N)c(C=NCc2ccccc2)nc1Cl- InChIKey
MHCBFJUNRBMENJ-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4S
- Average molar mass
- 292.79 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3-[(benzylimino)methyl]-6-(methylthio)pyrazineamine
- IUPAC
- 3-(benzyliminomethyl)-5-chloro-6-methylsulfanylpyrazin-2-amine
Names & synonyms
SCHEMBL10992301SCHEMBL10992304MHCBFJUNRBMENJ-UHFFFAOYSA-N5-Chloro-3-[(benzylimino)methyl]-6-(methylthio)pyrazineamine
Database identifiers
- PubChem CID
- 20403231
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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