Basic information
- CAS
13153-25-8- Standard SMILES
Nc1nc(SCc2ccccc2Cl)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
VTBUHHDYVGHOBM-UHFFFAOYSA-N- Molecular formula
- C17H18ClN5O4S
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.0768029
Names & identifiers
- Preferred name
- 9H-Purine, 2-amino-6-[(o-chlorobenzyl)thio]-9-beta-D-ribofuranosyl-
- IUPAC
- 2-[2-amino-6-[(2-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
MLS002608258NSC4066613153-25-8PC 255CHEMBL1718262DTXSID00285153HMS3078D10NSC 40666NSC-406669H-Purine, 2-amino-6-[(o-chlorobenzyl)thio]-9-.beta.-D-ribofuranosyl-9H-Purin-2-amine, 6-[[(2-chlorophenyl)methyl]thio]-9-.beta.-D-ribofuranosyl-NCI60_003860
Show more names
PD011671SMR0015270096-{[(2-Chlorophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purin-2-amine9H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-.beta.-D-ribofuranosyl-
Database identifiers
- CAS
13153-25-8- PubChem CID
- 237306
- DTXSID
DTXSID00285153- ChEMBL
CHEMBL1718262
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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