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
CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI=1S/C27H21F6N3O/c1-34-15-22-24(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)36-22)25(37)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-13,34H,14-15H2,1H3,(H,35,37)
KUPDICLCUUMCDF-UHFFFAOYSA-N
517.47