Basic information
- CAS
19188-60-4- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1.CCS(=O)(=O)O- InChIKey
DXBAJJGOJBYIGZ-UHFFFAOYSA-N- Molecular formula
- C20H25FN6O6S2
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.12610305
Names & identifiers
- Preferred name
- 4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
- IUPAC
- 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
Names & synonyms
19188-60-44-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluorideDTXSID60297030NSC-113226DS-014712Ethanesulfonic acid--4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamido]benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
19188-60-4- PubChem CID
- 270643
- DTXSID
DTXSID60297030
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 896
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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