Basic information
- Standard SMILES
CC(C)CC(CO)Nc1nc(SC(C)c2cccc(C#N)c2)nc2nc(N)sc12- InChIKey
PXGSOIQQPQSTRO-UHFFFAOYSA-N- Molecular formula
- C20H24N6OS2
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.14530176
Names & identifiers
- Preferred name
- 3-[1-[[2-Amino-7-[(1-hydroxy-4-methylpentan-2-yl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethyl]benzonitrile
- IUPAC
- 3-[1-[[2-amino-7-[(1-hydroxy-4-methylpentan-2-yl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethyl]benzonitrile
Names & synonyms
SCHEMBL23828052
Database identifiers
- PubChem CID
- 73155266
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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