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
CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChI=1S/C22H21N5OS/c1-3-17-18(19-20(23)24-12-25-21(19)29-17)14-7-9-15(10-8-14)26-22(28)27-16-6-4-5-13(2)11-16/h4-12H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,28)
NJPIJBWGCOBYBH-UHFFFAOYSA-N
403.51