6-((2-Fluorobenzyl)thio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

HCID 243153

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Basic information

CAS: 3799-60-8
Standard SMILES: Fc1ccccc1CSc1ncnc2c1ncn2C1CCCCO1
InChIKey: ZARXBQKUTQSBNW-UHFFFAOYSA-N
Molecular formula: C17H17FN4OS
Average molar mass: 344.4 g/mol
Monoisotopic mass: 344.11071051

Names & identifiers

Preferred name: 6-((2-Fluorobenzyl)thio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
IUPAC: 6-[(2-fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine
English name: 6-[(2-fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine
Molecular formula: C17H17FN4OS
Molecular weight: 344.41

Names & synonyms

3799-60-8MLS0026675346-((2-Fluorobenzyl)thio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purineHMS3080C06NSC52439CHEMBL1704014DTXSID90287762NSC-52439SMR0015573006-{[(2-Fluorophenyl)methyl]sulfanyl}-9-(oxan-2-yl)-9H-purine6-[(2-fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine9H-Purine, 6-[[(2-fluorophenyl)methyl]thio]-9-(tetrahydro-2H-pyran-2-yl)-

Database identifiers

CAS: 3799-60-8
PubChem CID: 243153
DTXSID: DTXSID90287762
ChEMBL: CHEMBL1704014

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 418

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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