2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid
Basic information
- CAS
50507-91-0- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1.CCS(=O)(=O)O- InChIKey
WYHMGODFDCDBHZ-UHFFFAOYSA-N- Molecular formula
- C19H29ClN6O6S
- Average molar mass
- 505 g/mol
- Monoisotopic mass
- 504.1557815
Names & identifiers
- Preferred name
- 2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid
- IUPAC
- 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid
Names & synonyms
MLS00292051150507-91-0NSC140380CHEMBL1893299DTXSID90301013NSC-140380SMR001798100DS-0128102-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-yl-ethanoneEthanesulfonic acid--2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-1-(morpholin-4-yl)ethan-1-one (1/1)
Database identifiers
- CAS
50507-91-0- PubChem CID
- 284536
- DTXSID
DTXSID90301013- ChEMBL
CHEMBL1893299
Properties
Computed structural properties
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 725
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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