Basic information
- CAS
88338-70-9- Standard SMILES
CCN(CC)CCc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1- InChIKey
HUIROZYYQWTITH-UHFFFAOYSA-N- Molecular formula
- C16H23N7O3
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.1862376
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-7-((5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)methyl)-1,3-dimethyl-
- IUPAC
- 7-[[5-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
7-((5-(2-diethylaminoethan-1-yl)-1,2,4-oxadiazol-3-yl)methyl)theophylline88338-70-91H-Purine-2,6-dione, 3,7-dihydro-7-((5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)methyl)-1,3-dimethyl-DTXSID50236973RefChem:239604DTXCID80159464SCHEMBL10651609HUIROZYYQWTITH-UHFFFAOYSA-N7-[{5-(2-diethylamino-ethan-1-yl)-1,2,4-oxadiazol-3-yl}-methyl]-theophylline7-({5-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
88338-70-9- PubChem CID
- 11971033
- DTXSID
DTXSID50236973
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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