Basic information
- CAS
52463-45-3- Standard SMILES
Cl.Cn1c(=O)c2c(nc(CN)n2Cc2ccccc2)n(C)c1=O- InChIKey
WXBVMBPTKDHPLN-UHFFFAOYSA-N- Molecular formula
- C15H18ClN5O2
- Average molar mass
- 335.79 g/mol
- Monoisotopic mass
- 335.1149025
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)-, hydrochloride
- IUPAC
- 8-(aminomethyl)-7-benzyl-1,3-dimethylpurine-2,6-dione;hydrochloride
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)-, hydrochloride3,7-Dihydro-8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione hydrochloride52463-45-3DTXSID10200458Chlorowodorek 8-aminometylo-7-benzylo-1,3-dwumetyloksantyny [Polish]Chlorowodorek 8-aminometylo-7-benzylo-1,3-dwumetyloksantynyRefChem:239653DTXCID101229498-(Aminomethyl)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
52463-45-3- PubChem CID
- 3040554
- DTXSID
DTXSID10200458
Properties
Computed structural properties
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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