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
Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN
InChI=1S/C20H19FN4O3/c1-25-17(8-10-23-25)16-12-15(6-7-18(16)28-11-9-22)24-20(27)19(26)13-2-4-14(21)5-3-13/h2-8,10,12H,9,11,22H2,1H3,(H,24,27)
FFRHZNYHCQFSHO-UHFFFAOYSA-N
382.4