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(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChI=1S/C20H29N3O3/c1-15(2)20(25)21-16-8-12-22(13-9-16)10-5-11-23-17-6-3-4-7-18(17)26-14-19(23)24/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,21,25)
GIOXUGQDHRDESE-UHFFFAOYSA-N
359.47