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
Cc1nc2c(-c3nccs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)ccc(F)c12
InChI=1S/C24H19ClFN5OS/c1-14-29-22-16(24-28-6-11-33-24)12-15(30-7-9-32-10-8-30)13-20(22)31(14)19-4-5-27-23-17(25)2-3-18(26)21(19)23/h2-6,11-13H,7-10H2,1H3
XKOIEDSNUCQFJI-UHFFFAOYSA-N
479.97