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=CCNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O
InChI=1S/C17H17ClN4O2S/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h2-7,9-10H,1,8,11H2,(H,20,23)(H2,19,21,25)
WPRCJRKQJRLRHC-UHFFFAOYSA-N
376.87