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(=O)c1nc(C(=O)NCCc2ccccc2)cc2c3ccccc3n(C)c12
InChI=1S/C23H21N3O2/c1-15(27)21-22-18(17-10-6-7-11-20(17)26(22)2)14-19(25-21)23(28)24-13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,28)
IXLQKNHMXNZJEX-UHFFFAOYSA-N
371.44