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
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
InChI=1S/C23H23ClFN5O3/c1-29-8-6-23(7-9-29)12-30(22(31)33-23)18-10-14-17(11-19(18)32-2)26-13-27-21(14)28-16-5-3-4-15(24)20(16)25/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,26,27,28)
NDPDENJSSNGRDR-UHFFFAOYSA-N
471.92