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
COc1ccc(CNC(=O)CCCCCNc2nc(S)nc3ccccc23)cc1
InChI=1S/C22H26N4O2S/c1-28-17-12-10-16(11-13-17)15-24-20(27)9-3-2-6-14-23-21-18-7-4-5-8-19(18)25-22(29)26-21/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,24,27)(H2,23,25,26,29)
XFZULAAKMPJGHT-UHFFFAOYSA-N
410.54