Basic information
- CAS
37154-86-2- Standard SMILES
c1ccc(C(Sc2ncnc3c2ncn3N2CCCC2)c2ccccc2)cc1- InChIKey
LPSCBBXKHTXRER-UHFFFAOYSA-N- Molecular formula
- C22H21N5S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.15176686
Names & identifiers
- Preferred name
- 6-[(Diphenylmethyl)sulfanyl]-9-(pyrrolidin-1-yl)-9h-purine
- IUPAC
- 6-benzhydrylsulfanyl-9-pyrrolidin-1-ylpurine
Names & synonyms
37154-86-26-(Benzhydrylthio)-9-(pyrrolidin-1-yl)-9H-purine6-[(diphenylmethyl)sulfanyl]-9-(pyrrolidin-1-yl)-9h-purineNSC132082DTXSID50299684NSC-132082
Database identifiers
- CAS
37154-86-2- PubChem CID
- 280445
- DTXSID
DTXSID50299684
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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