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
C=CC(=O)N1CCC(Nc2cnc3[nH]cc(-c4ccccc4)c3n2)CC1
InChI=1S/C20H21N5O/c1-2-18(26)25-10-8-15(9-11-25)23-17-13-22-20-19(24-17)16(12-21-20)14-6-4-3-5-7-14/h2-7,12-13,15H,1,8-11H2,(H,21,22)(H,23,24)
DIUCMMONAQQCJP-UHFFFAOYSA-N
347.42