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)c1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cc1
InChI=1S/C21H25FN2O4/c1-24(2)17-5-3-16(4-6-17)21-23-19-15-18(7-8-20(19)28-21)27-14-13-26-12-11-25-10-9-22/h3-8,15H,9-14H2,1-2H3/i22-1
IXWYRQOHGLPBMP-KVTPGWOSSA-N
387.44