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
COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChI=1S/C22H23BrF2N4O2/c1-29-5-3-13(4-6-29)11-31-20-10-18-15(9-19(20)30-2)22(27-12-26-18)28-21-16(24)7-14(23)8-17(21)25/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,27,28)
KIWKXIDEBINNAK-UHFFFAOYSA-N
493.35