9H-Purine, 9-(phenylmethyl)-6-(2-thienyl)-
Basic information
- CAS
160516-05-2- Standard SMILES
c1ccc(Cn2cnc3c(-c4cccs4)ncnc32)cc1- InChIKey
PAAXDEJAQCUKRO-UHFFFAOYSA-N- Molecular formula
- C16H12N4S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.07826757
Names & identifiers
- Preferred name
- 9H-Purine, 9-(phenylmethyl)-6-(2-thienyl)-
- IUPAC
- 9-benzyl-6-thiophen-2-ylpurine
Names & synonyms
9-Benzyl-6-(thiophen-2-yl)-9H-purine160516-05-29H-Purine, 9-(phenylmethyl)-6-(2-thienyl)-9-Benzyl-6-(2-thienyl)-9H-purineCHEMBL194989-benzyl-6-(2-thienyl)purineDTXSID103328046-(2-Thienyl)-9-(2-phenylethyl)-9H-purine
Database identifiers
- CAS
160516-05-2- PubChem CID
- 466477
- DTXSID
DTXSID10332804- ChEMBL
CHEMBL19498- Nikkaji
- J1.153.910F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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