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
CN(C)Cc1ccc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc23)cc1
InChI=1S/C22H19Cl2N3/c1-27(2)13-14-3-7-17(8-4-14)25-22-18-9-5-15(23)11-20(18)26-21-12-16(24)6-10-19(21)22/h3-12H,13H2,1-2H3,(H,25,26)
HXRGCPUWFIONHC-UHFFFAOYSA-N
396.32