Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
CCc1cc(F)c(Nc2nc(Nc3ccc(C#N)cc3)nc(OCCCN3CCOCC3)n2)c(F)c1
InChI=1S/C25H27F2N7O2/c1-2-17-14-20(26)22(21(27)15-17)30-24-31-23(29-19-6-4-18(16-28)5-7-19)32-25(33-24)36-11-3-8-34-9-12-35-13-10-34/h4-7,14-15H,2-3,8-13H2,1H3,(H2,29,30,31,32,33)
TUGDUKZJJVDKLL-UHFFFAOYSA-N
495.53