Basic information
- Standard SMILES
CC(=O)OCCn1c(CN2CCC(C(C)(C)O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21- InChIKey
YQUUGRKWECOLTC-UHFFFAOYSA-N- Molecular formula
- C22H33ClN6O4
- Average molar mass
- 481 g/mol
- Monoisotopic mass
- 480.2251812
Names & identifiers
- Preferred name
- 2-(2-chloro-8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-6-morpholino-9H-purin-9-yl)ethyl acetate
- IUPAC
- 2-[2-chloro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-6-morpholin-4-ylpurin-9-yl]ethyl acetate
Names & synonyms
SCHEMBL2109452YQUUGRKWECOLTC-UHFFFAOYSA-N2-(2-chloro-8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-6-morpholino-9H-purin-9-yl)ethyl acetate
Database identifiers
- PubChem CID
- 86648153
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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