Basic information
- Standard SMILES
CNc1ncn(-c2c(C)cccc2C)c(=O)n1.CS(=O)(=O)O- InChIKey
JALZUVLKZSNFIH-UHFFFAOYSA-N- Molecular formula
- C13H18N4O4S
- Average molar mass
- 326.37 g/mol
Names & identifiers
- Preferred name
- 1-(2',6'-Dimethylphenyl)-4-methylamino-1,2-dihydro-1,3,5-triazin-2-one methanesulfonate
- IUPAC
- 1-(2,6-dimethylphenyl)-4-(methylamino)-1,3,5-triazin-2-one;methanesulfonic acid
Names & synonyms
SCHEMBL11057854JALZUVLKZSNFIH-UHFFFAOYSA-N1-(2', 6'-dimethylphenyl)-4-methylamino-1,2-dihydro-1,3,5-triazin-2-one methanesulfonate1-(2',6'-dimethylphenyl)-4-methylamino-1,2-dihydro-1,3,5-triazin-2-one methanesulfonate
Database identifiers
- PubChem CID
- 20457329
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
8 records
Compound notes
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