2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethylacetamide;ethanesulfonic acid
Basic information
- CAS
50508-05-9- Standard SMILES
CCS(=O)(=O)O.CN(C)C(=O)Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1- InChIKey
UKYWHEXKJZUQSI-UHFFFAOYSA-N- Molecular formula
- C17H28N6O4S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.18927457
Names & identifiers
- Preferred name
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethylacetamide;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethylacetamide;ethanesulfonic acid
Names & synonyms
50508-05-9NSC140023DTXSID90964728NSC-140023DS-0128332-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethyl-acetamideEthanesulfonic acid--2-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]-N,N-dimethylacetamide (1/1)
Database identifiers
- CAS
50508-05-9- PubChem CID
- 284236
- DTXSID
DTXSID90964728
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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