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
c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccncc2)c1
InChI=1S/C22H19N5O3/c1-2-4-18(24-14-15-7-9-23-10-8-15)17(3-1)21-26-27-22(30-21)25-16-5-6-19-20(13-16)29-12-11-28-19/h1-10,13,24H,11-12,14H2,(H,25,27)
IQVQCEHRAJVTIU-UHFFFAOYSA-N
401.43