6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
Basic information
- CAS
13153-20-3- Standard SMILES
CCCCSc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
BIAKPVRPZJGWSJ-UHFFFAOYSA-N- Molecular formula
- C14H21N5O4S
- Average molar mass
- 355.42 g/mol
- Monoisotopic mass
- 355.13142534
Names & identifiers
- Preferred name
- 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
- IUPAC
- 2-(2-amino-6-butylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
MLS00266705213153-20-3NSC46391CHEMBL2144665DTXSID30927251HMS3088P246-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imineNSC-46391SMR001556825
Database identifiers
- CAS
13153-20-3- PubChem CID
- 240291
- DTXSID
DTXSID30927251- ChEMBL
CHEMBL2144665
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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