Basic information
- Standard SMILES
O=c1[nH]c(=O)n(C2CC2)c2ncn(Cc3ccccc3)c12- InChIKey
HIQKYNKZRMZHLM-UHFFFAOYSA-N- Molecular formula
- C15H14N4O2
- Average molar mass
- 282.3 g/mol
Names & identifiers
- Preferred name
- 7-Benzyl-3-cyclopropylxanthine
- IUPAC
- 7-benzyl-3-cyclopropylpurine-2,6-dione
Names & synonyms
7-Benzyl-3-cyclopropylxanthineSCHEMBL7603126HIQKYNKZRMZHLM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22007308
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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