Basic information
- CAS
91647-49-3- Standard SMILES
CCC(C)Cn1cnc2c(SCC(=O)O)nc(N)nc21- InChIKey
YBYHUQLRHZLSOL-UHFFFAOYSA-N- Molecular formula
- C12H17N5O2S
- Average molar mass
- 295.36 g/mol
- Monoisotopic mass
- 295.11029598
Names & identifiers
- Preferred name
- Aceticacid, 2-[[2-amino-9-(2-methylbutyl)-9H-purin-6-yl]thio]-
- IUPAC
- 2-[2-amino-9-(2-methylbutyl)purin-6-yl]sulfanylacetic acid
Names & synonyms
91647-49-32-((2-Amino-9-(2-methylbutyl)-9H-purin-6-yl)thio)acetic acidAceticacid, 2-[[2-amino-9-(2-methylbutyl)-9H-purin-6-yl]thio]-NSC52447DTXSID90287767NSC-52447DS-006379{[2-Amino-9-(2-methylbutyl)-9H-purin-6-yl]sulfanyl}acetic acid
Database identifiers
- CAS
91647-49-3- PubChem CID
- 243161
- DTXSID
DTXSID90287767
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…