Acetamide, N-(5-(9H-purin-6-ylthio)-1,3,4-thiadiazol-2-yl)-
Basic information
- CAS
53051-75-5- Standard SMILES
CC(=O)Nc1nnc(Sc2ncnc3nc[nH]c23)s1- InChIKey
PVEWNROTMCXVPS-UHFFFAOYSA-N- Molecular formula
- C9H7N7OS2
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.01535022
Names & identifiers
- Preferred name
- Acetamide, N-(5-(9H-purin-6-ylthio)-1,3,4-thiadiazol-2-yl)-
- IUPAC
- N-[5-(7H-purin-6-ylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Names & synonyms
ACETAMIDE, N-(5-(9H-PURIN-6-YLTHIO)-1,3,4-THIADIAZOL-2-YL)-N-(5-(9H-Purin-6-ylthio)-1,3,4-thiadiazol-2-yl)acetamide53051-75-56-(2'-Acetylamino-1',3',4'-thiadiazolyl-5')mercaptopurineDTXSID60201091RefChem:315432DTXCID60123582N-{5-[(7H-Purin-6-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Database identifiers
- CAS
53051-75-5- PubChem CID
- 40605
- DTXSID
DTXSID60201091
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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