Basic information
- CAS
76412-62-9- Standard SMILES
CCCCOc1nc(N)nc2nc[nH]c12- InChIKey
SPHOZXNZJHRHSL-UHFFFAOYSA-N- Molecular formula
- C9H13N5O
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.11201006
Names & identifiers
- Preferred name
- O(6)-n-Butylguanine
- IUPAC
- 6-butoxy-7H-purin-2-amine
- English name
- O(6)-n-butylguanine
- Molecular formula
- C9H13N5O
- Molecular weight
- 207.23242
Names & synonyms
76412-62-9O(6)-n-ButylguanineO(6)-ButylguanineRefChem:9280076-butoxy-9H-purin-2-amine6-butoxy-7H-purin-2-amine8045-27-0CHEMBL270946NSC-37366o6-butylguanine9h-purin-2-amine, 6-butoxy-NSC 37366
Show more names
6-ButoxyguanineO6-n-Butylguanine2-Amino-6-butoxypurinePurine, 2-amino-6-butoxy-SCHEMBL8801692-Amino-6-butoxy-9H-purineBDBM5462X56VS4L65V
Database identifiers
- CAS
76412-62-9- PubChem CID
- 95803
- DTXSID
DTXSID80997808- ChEMBL
CHEMBL270946- UNII
- X56VS4L65V
- Nikkaji
- J378.033C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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