7-Pentofuranosyl-5-(4-phenyl-1,3-thiazol-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
Basic information
- CAS
55470-45-6- Standard SMILES
Nc1ncnc2c1c(-c1nc(-c3ccccc3)cs1)cn2C1OC(CO)C(O)C1O- InChIKey
UBZRKLHUBPMRJS-UHFFFAOYSA-N- Molecular formula
- C20H19N5O4S
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.11577528
Names & identifiers
- Preferred name
- 7-Pentofuranosyl-5-(4-phenyl-1,3-thiazol-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- 2-[4-amino-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
55470-45-6NSC1548247-pentofuranosyl-5-(4-phenyl-1,3-thiazol-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amineDTXSID00302879NSC-1548247H-Pyrrolo[2, 4-amino-5-(4-phenyl-2-thiazolyl)-7-.beta.-D-ribofuranosyl-
Database identifiers
- CAS
55470-45-6- PubChem CID
- 290688
- DTXSID
DTXSID00302879
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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