6-[(3-Fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine

HCID 243155

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3918-07-8
Standard SMILES: Fc1cccc(CSc2ncnc3c2ncn3C2CCCCO2)c1
InChIKey: CEOUXWZVBBHYKV-UHFFFAOYSA-N
Molecular formula: C17H17FN4OS
Average molar mass: 344.4 g/mol
Monoisotopic mass: 344.11071051

Names & identifiers

Preferred name: 6-[(3-Fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine
IUPAC: 6-[(3-fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine
English name: 6-[(3-fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purine
Molecular formula: C17H17FN4OS
Molecular weight: 344.41

Names & synonyms

3918-07-8MLS0026675366-[(3-fluorophenyl)methylsulfanyl]-9-(oxan-2-yl)purineNSC52441CHEMBL1698442DTXSID50287763HMS3079O06NSC-52441SMR0015573026-{[(3-Fluorophenyl)methyl]sulfanyl}-9-(oxan-2-yl)-9H-purine9H-Purine, 6-[[(3-fluorophenyl)methyl]thio]-9-(tetrahydro-2H-pyran-2-yl)-

Database identifiers

CAS: 3918-07-8
PubChem CID: 243155
DTXSID: DTXSID50287763
ChEMBL: CHEMBL1698442

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]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…