Basic information
- CAS
126480-52-2- Standard SMILES
Cl.Cn1c(=O)c2c(ncn2CC(=N)N2CCOCC2)n(C)c1=O- InChIKey
OOMFUSNVMFUEBL-UHFFFAOYSA-N- Molecular formula
- C13H19ClN6O3
- Average molar mass
- 342.78 g/mol
- Monoisotopic mass
- 342.1207162
Names & identifiers
- Preferred name
- Morpholine, 4-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1)
- IUPAC
- 7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
Names & synonyms
1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate126480-52-2Morpholine, 4-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1)RefChem:3576097-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride7-[2-Imino-2-(morpholin-4-yl)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)DTXSID00925562AKOS024396504SR-01000536053SR-01000536053-1
Database identifiers
- CAS
126480-52-2- PubChem CID
- 2965239
- DTXSID
DTXSID00925562
Properties
Computed structural properties
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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