8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
585558-08-3- Standard SMILES
Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2CCCc2ccccc2)n(C)c1=O- InChIKey
AIKJMBNKFCUKMJ-UHFFFAOYSA-N- Molecular formula
- C23H32N6O3
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.2535889
Names & identifiers
- Preferred name
- 8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
Names & synonyms
8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dioneHMS1690E16STL341855AKOS000722194CCG-131977ST502968458-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione8-{[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]METHYL}-1,3-DIMETHYL-7-(3-PHENYLPROPYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE8-{[4-(2-hydroxyethyl)piperazinyl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-1,3, 7-trihydropurine-2,6-dione
Database identifiers
- CAS
585558-08-3- PubChem CID
- 978648
- EC Number
- 120-449-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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