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
NC(=O)[C@@H]1CCCN1c1cc2c3c(nc(-c4ccc5oc(N)nc5c4)n3CCCO2)c1F
InChI=1S/C22H21FN6O3/c23-17-14(28-6-1-3-13(28)20(24)30)10-16-19-18(17)27-21(29(19)7-2-8-31-16)11-4-5-15-12(9-11)26-22(25)32-15/h4-5,9-10,13H,1-3,6-8H2,(H2,24,30)(H2,25,26)/t13-/m0/s1
FNEUXHRPWFQLDN-ZDUSSCGKSA-N
436.45