N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methylpropanamide;ethanesulfonic acid
Basic information
- CAS
50508-13-9- Standard SMILES
CCS(=O)(=O)O.CN(Cc1ccccc1)C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1- InChIKey
OKMMSHIEMAESNN-UHFFFAOYSA-N- Molecular formula
- C24H34N6O4S
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.23622476
Names & identifiers
- Preferred name
- N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methylpropanamide;ethanesulfonic acid
- IUPAC
- N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methylpropanamide;ethanesulfonic acid
Names & synonyms
50508-13-9NSC140385DTXSID70301016NSC-140385DS-012003N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methyl-propanamideEthanesulfonic acid--N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N-methylpropanamide (1/1)
Database identifiers
- CAS
50508-13-9- PubChem CID
- 284546
- DTXSID
DTXSID70301016
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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