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
CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChI=1S/C25H27N5O3/c1-25(2,3)33-24(31)29-13-11-28(12-14-29)23-17-20(21-10-7-15-32-21)26-22-16-19(27-30(22)23)18-8-5-4-6-9-18/h4-10,15-17H,11-14H2,1-3H3
BEAQCEQRYIONDK-UHFFFAOYSA-N
445.52