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
COc1ccc(N/C(S)=N/CCCOc2cccc(CN3CCCCC3)c2)cc1
InChI=1S/C23H31N3O2S/c1-27-21-11-9-20(10-12-21)25-23(29)24-13-6-16-28-22-8-5-7-19(17-22)18-26-14-3-2-4-15-26/h5,7-12,17H,2-4,6,13-16,18H2,1H3,(H2,24,25,29)
HRXQQFYGGWBPRN-UHFFFAOYSA-N
413.59