Basic information
- CAS
37154-73-7- Standard SMILES
CC(=O)Nn1cnc2c(SCc3ccccc3)ncnc21- InChIKey
MIMNTWOYTNXEQJ-UHFFFAOYSA-N- Molecular formula
- C14H13N5OS
- Average molar mass
- 299.35 g/mol
- Monoisotopic mass
- 299.08408123
Names & identifiers
- Preferred name
- Acetamide, N-[6-(benzylthio)-9H-purin-9-yl]-
- IUPAC
- N-(6-benzylsulfanylpurin-9-yl)acetamide
Names & synonyms
37154-73-7Acetamide, N-[6-(benzylthio)-9H-purin-9-yl]-NSC112476DTXSID40958354NSC-112476DS-009622Acetamide,n-[6-[(phenylmethyl)thio]-9h-purin-9-yl]-N-[6-(Benzylsulfanyl)-9H-purin-9-yl]ethanimidic acid
Database identifiers
- CAS
37154-73-7- PubChem CID
- 270239
- DTXSID
DTXSID40958354
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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