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
Oc1nc2cc(C#CCN3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]1
InChI=1S/C22H23N3O2/c26-21-23-19-9-8-17(15-20(19)24-21)7-4-12-25-13-10-22(27,11-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,10-14,16H2,(H2,23,24,26)
ALAHLCCSSRTDAZ-UHFFFAOYSA-N
361.45