Basic information
- CAS
17416-87-4- Standard SMILES
c1ccc(C(Sc2ncnc3nc[nH]c23)c2ccccc2)cc1- InChIKey
VYAQYZARCPGAMD-UHFFFAOYSA-N- Molecular formula
- C18H14N4S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.09391764
Names & identifiers
- Preferred name
- 6-benzhydrylsulfanyl-7H-purine
- IUPAC
- 6-benzhydrylsulfanyl-7H-purine
Names & synonyms
6-benzhydrylsulfanyl-7H-purine17416-87-4DTXSID50393595RefChem:307218DTXCID403444556-diphenylmethylthiopurineOprea1_110166SCHEMBL3760208NSC293942NSC-2939426-[(DIPHENYLMETHYL)SULFANYL]-7H-PURINE
Database identifiers
- CAS
17416-87-4- PubChem CID
- 3554802
- DTXSID
DTXSID50393595
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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