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
Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(C(=O)O)cc4)cc23)c1
InChI=1S/C22H20N4O2/c1-14-4-3-5-15(10-14)12-26(2)21-18-11-19(25-20(18)23-13-24-21)16-6-8-17(9-7-16)22(27)28/h3-11,13H,12H2,1-2H3,(H,27,28)(H,23,24,25)
WDTMMWXYUKMGGU-UHFFFAOYSA-N
372.43