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
COC(=O)CNC(=O)c1ncc(-c2cn(Cc3ccccc3)nn2)cc1O
InChI=1S/C18H17N5O4/c1-27-16(25)9-20-18(26)17-15(24)7-13(8-19-17)14-11-23(22-21-14)10-12-5-3-2-4-6-12/h2-8,11,24H,9-10H2,1H3,(H,20,26)
OMRYYLWKJHISCY-UHFFFAOYSA-N
367.37