Basic information
- Standard SMILES
CSc1ncc2c(Cl)nn(C)c2n1- InChIKey
JJTNVGBIOLCNQB-UHFFFAOYSA-N- Molecular formula
- C7H7ClN4S
- Average molar mass
- 214.68 g/mol
- Monoisotopic mass
- 214.0079951
Names & identifiers
- Preferred name
- 3-chloro-1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 3-chloro-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
Names & synonyms
NSC165552SCHEMBL4258862JJTNVGBIOLCNQB-UHFFFAOYSA-N3-chloro-1-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidineNSC-165552101251-17-6DB-1938713-Chloro-1-methyl-6-(methylthio)-1h-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 295922
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
2 records
Compound notes
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