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
Cc1nccc(N2CCCC3CC(C4(C(=O)Nc5ccc(F)cc5)CCC4)CCC32)n1
InChI=1S/C25H31FN4O/c1-17-27-14-11-23(28-17)30-15-2-4-18-16-19(5-10-22(18)30)25(12-3-13-25)24(31)29-21-8-6-20(26)7-9-21/h6-9,11,14,18-19,22H,2-5,10,12-13,15-16H2,1H3,(H,29,31)
XZJKXGOWZFBPDZ-UHFFFAOYSA-N
422.55