Basic information
- Standard SMILES
CC(=O)NC1=NC2=C(C(=O)[NH2+]1)N(Cc1ccccc1)CN2COCCOC(C)=O.[Br-]- InChIKey
QITRRTGEQPIXFT-UHFFFAOYSA-N- Molecular formula
- C19H24BrN5O5
- Average molar mass
- 482.3 g/mol
Names & identifiers
- Preferred name
- 9-(2-acetoxyethoxy)methyl-7-benzyl-N2-acetylguaninium bromide
- IUPAC
- 2-[(2-acetamido-7-benzyl-6-oxo-1,8-dihydropurin-1-ium-9-yl)methoxy]ethyl acetate bromide
Names & synonyms
QITRRTGEQPIXFT-UHFFFAOYSA-N9-(2-acetoxyethoxy)methyl-7-benzyl-N2 -acetylguaninium bromide
Database identifiers
- PubChem CID
- 70196782
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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