Basic information
- CAS
83379-25-3- Standard SMILES
Cc1ccc(S(=O)(=O)OC2C(O)C(CO)OC2n2c(Br)c(C#N)c3c(N)ncnc32)cc1- InChIKey
KYCXTVIMIRUAIN-UHFFFAOYSA-N- Molecular formula
- C19H18BrN5O6S
- Average molar mass
- 524.3 g/mol
- Monoisotopic mass
- 523.01612
Names & identifiers
- Preferred name
- [2-(4-Amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
- IUPAC
- [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
Names & synonyms
83379-25-3NSC287084[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonateDTXSID60314670NSC-2870844-Amino-6-bromo-7-[2-O-(4-methylbenzene-1-sulfonyl)pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Database identifiers
- CAS
83379-25-3- PubChem CID
- 323909
- DTXSID
DTXSID60314670
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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