Sulfuric acid;3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino]methyl]benzenesulfonyl fluoride
Basic information
- CAS
21779-63-5- Standard SMILES
Nc1nc(N)c(CCCOc2ccc(NCc3cccc(S(=O)(=O)F)c3)cc2)c(N)n1.O=S(=O)(O)O- InChIKey
OVSCVQXZQWGHAL-UHFFFAOYSA-N- Molecular formula
- C20H25FN6O7S2
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.12101767
Names & identifiers
- Preferred name
- Sulfuric acid;3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino]methyl]benzenesulfonyl fluoride
- IUPAC
- sulfuric acid;3-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino]methyl]benzenesulfonyl fluoride
Names & synonyms
NSC123459DTXSID00298485NSC-123459Sulfuric acid--3-({4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]anilino}methyl)benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
21779-63-5- PubChem CID
- 276167
- DTXSID
DTXSID00298485
Properties
Computed structural properties
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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