2-Chloro-4-methoxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Basic information
- CAS
67971-21-5- Standard SMILES
COc1nc(Cl)nc2c1c(C#N)cn2C1OC(CO)C(O)C1O- InChIKey
XPHVYSRWCCJJJI-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4O5
- Average molar mass
- 340.72 g/mol
- Monoisotopic mass
- 340.0574472
Names & identifiers
- Preferred name
- 2-Chloro-4-methoxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- IUPAC
- 2-chloro-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
Names & synonyms
67971-21-52-chloro-4-methoxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrileNSC147784DTXSID70987374NSC-147784
Database identifiers
- CAS
67971-21-5- PubChem CID
- 287709
- DTXSID
DTXSID70987374
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…