Basic information
- Standard SMILES
CCCCOCn1c(=O)c2c(ncn2Cc2ccccc2)n(C(C)C)c1=O- InChIKey
ZYAFXEGEALXEKJ-UHFFFAOYSA-N- Molecular formula
- C20H26N4O3
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 7-Benzyl-1-butoxymethyl-3-isopropylxanthine
- IUPAC
- 7-benzyl-1-(butoxymethyl)-3-propan-2-ylpurine-2,6-dione
Names & synonyms
SCHEMBL7606542ZYAFXEGEALXEKJ-UHFFFAOYSA-N7-Benzyl-1-butoxymethyl-3-isopropylxanthine
Database identifiers
- PubChem CID
- 22007299
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
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