Thieno(3'',2'':5',6')pyrido(4',3':3,4)pyrazolo(1,5-a)pyrimidine
Basic information
- CAS
70661-49-3- Standard SMILES
c1cnc2c3cnc4sccc4c3nn2c1- InChIKey
WORMVWFEAXFRKW-UHFFFAOYSA-N- Molecular formula
- C11H6N4S
- Average molar mass
- 226.26 g/mol
- Monoisotopic mass
- 226.03131738
Names & identifiers
- Preferred name
- Thieno(3'',2'':5',6')pyrido(4',3':3,4)pyrazolo(1,5-a)pyrimidine
- IUPAC
- 5-thia-7,11,15,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,9,11,13-heptaene
Names & synonyms
W41I7PLB9K70661-49-3UNII-W41I7PLB9KThieno(3'',2'':5',6')pyrido(4',3':3,4)pyrazolo(1,5-a)pyrimidineNSC 339492NSC-339492DTXSID80220946Thieno[3'',2'':5',6']pyrido[4',3':3,4]pyrazolo[1,5-a]pyrimidineRefChem:189377DTXCID10143437NSC339492
Database identifiers
- CAS
70661-49-3- PubChem CID
- 334398
- DTXSID
DTXSID80220946- UNII
- W41I7PLB9K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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