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(Cl)cc1N1CCN(CCCCc2c[nH]c3ccc(C#N)cc23)CC1
InChI=1S/C24H27ClN4O/c1-30-24-8-6-20(25)15-23(24)29-12-10-28(11-13-29)9-3-2-4-19-17-27-22-7-5-18(16-26)14-21(19)22/h5-8,14-15,17,27H,2-4,9-13H2,1H3
XWSOEEKZADLHFF-UHFFFAOYSA-N
422.96