Basic information
- Standard SMILES
CCCCn1c(=O)n(Cc2ccccc2F)c(=O)c2[nH]c(Cc3ccc(N)cc3)nc21- InChIKey
QGWIDDFMQKVQGH-UHFFFAOYSA-N- Molecular formula
- C23H24FN5O2
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- 1-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-[(4-aminophenyl)methyl]-3-butyl-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
Names & synonyms
CHEMBL242862SCHEMBL3976954QGWIDDFMQKVQGH-UHFFFAOYSA-NBDBM502140111-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione8-(4-Amino-benzyl)-3-butyl-1-(2-fluoro-benzyl)-3,7-dihydro-purine-2,6-dione8-(4-amino-benzyl)-3-butyl-1-(2-fluorobenzyl)-3,7-dihydro-purine-2,6-dione
Database identifiers
- PubChem CID
- 21891720
- ChEMBL
CHEMBL242862
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 641
Related reactions
115 records
Compound notes
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