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(CN(CCO)Cc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1
InChI=1S/C25H33N3O3/c1-30-21-12-10-19(11-13-21)16-28(14-15-29)17-24-26-22-8-5-9-23(25(22)27-24)31-18-20-6-3-2-4-7-20/h5,8-13,20,29H,2-4,6-7,14-18H2,1H3,(H,26,27)
ZDAHXPHBNYETGJ-UHFFFAOYSA-N
423.56