Basic information
- Standard SMILES
Cc1cc(C)c(Sc2nc(Nc3ccc(C#N)cc3)nc3[nH]ccc23)c(C)c1- InChIKey
PEWQIHNBGQZCRB-UHFFFAOYSA-N- Molecular formula
- C22H19N5S
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-(2,4,6-trimethyl-phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-benzonitrile
- IUPAC
- 4-[[4-(2,4,6-trimethylphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile
Names & synonyms
SCHEMBL1716213PEWQIHNBGQZCRB-UHFFFAOYSA-N4-[4-(2,4,6-trimethyl-phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino]-benzonitrile
Database identifiers
- PubChem CID
- 57693603
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Related reactions
3 records
Compound notes
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