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
CSc1cccc2nc([C@@H]3CCCN3C(=O)c3cnc(C)nc3-c3ccc(Br)c(Cl)c3)[nH]c12
InChI=1S/C24H21BrClN5OS/c1-13-27-12-15(21(28-13)14-8-9-16(25)17(26)11-14)24(32)31-10-4-6-19(31)23-29-18-5-3-7-20(33-2)22(18)30-23/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3,(H,29,30)/t19-/m0/s1
TZVRPQFYZBQRPK-IBGZPJMESA-N
542.89