Basic information
- Standard SMILES
CCOC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(-c3cccc(-c4ccnc(C#N)n4)c3)c12- InChIKey
ZSNPRCMFYCPESR-UHFFFAOYSA-N- Molecular formula
- C26H28N6O3Si
- Average molar mass
- 500.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(3-(2-cyanopyrimidin-4-yl)phenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-[3-(2-cyanopyrimidin-4-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL15032947ZSNPRCMFYCPESR-UHFFFAOYSA-NEthyl 4-(3-(2-cyanopyrimidin-4-yl)phenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 89630128
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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