1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((3-pyridinylmethyl)amino)propyl)-, monohydrochloride
Basic information
- CAS
50472-64-5- Standard SMILES
Cl.Cn1c(=O)c2c(ncn2CC(O)CNCc2cccnc2)n(C)c1=O- InChIKey
PYJGPRRHHNQDBA-UHFFFAOYSA-N- Molecular formula
- C16H21ClN6O3
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.1363662
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((3-pyridinylmethyl)amino)propyl)-, monohydrochloride
- IUPAC
- 7-[2-hydroxy-3-(pyridin-3-ylmethylamino)propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Names & synonyms
ES 7701H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((3-pyridinylmethyl)amino)propyl)-, monohydrochloride50472-64-5RefChem:239538DTXSID909647037-(2-Hydroxy-3-{[(pyridin-3-yl)methyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
50472-64-5- PubChem CID
- 3039338
- DTXSID
DTXSID90964703
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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