Basic information
- CAS
55477-32-2- Standard SMILES
CSc1c(Cl)nc(N(C)C(=O)c2ccccc2)nc1N1CC[NH+](C)CC1.[Cl-]- InChIKey
WXNZHNBICYJCMQ-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N5OS
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 427.1000369
Names & identifiers
- Preferred name
- Benzamide, N-(4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl)-N-methyl-, monohydrochloride
- IUPAC
- N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide chloride
Names & synonyms
55477-32-2Benzamide, N-(4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl)-N-methyl-, monohydrochloride2-(N-Methyl-N-benzoyl)amino-4-N-methyl-piperazino-6-chloro-5-methylthio-pyrimidine HClRefChem:322376
Database identifiers
- CAS
55477-32-2- PubChem CID
- 41454
Properties
Computed structural properties
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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