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
COc1cccc(N(Cc2cn(CC#N)nn2)C2=CC(=O)c3ccccc3C2=O)c1
InChI=1S/C22H17N5O3/c1-30-17-6-4-5-16(11-17)27(14-15-13-26(10-9-23)25-24-15)20-12-21(28)18-7-2-3-8-19(18)22(20)29/h2-8,11-13H,10,14H2,1H3
UQLXAVXWPCWROP-UHFFFAOYSA-N
399.41