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
Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2cccc(F)c2)ccc1F
InChI=1S/C27H28F2N4O3/c1-18-15-22(8-9-23(18)29)36-25-10-7-19(26(34)30-11-14-33-12-2-3-13-33)16-24(25)32-27(35)31-21-6-4-5-20(28)17-21/h4-10,15-17H,2-3,11-14H2,1H3,(H,30,34)(H2,31,32,35)
SUXUDRZHKMVXQJ-UHFFFAOYSA-N
494.54