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
Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1
InChI=1S/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-22-29-34-30-27(35(29)18-4-8-23-6-2-16-32-20-23)10-1-11-28(30)36-19-5-9-24-7-3-17-33-21-24/h1,10-15,23-24,32-33H,2-9,16-22H2/t23-,24+/m0/s1
KWGDURXIKWPRNZ-BJKOFHAPSA-N
525.14