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
N[C@@H](CCNCc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1
InChI=1S/C23H31N3O2/c24-22(23(27)26-15-5-2-6-16-26)13-14-25-17-19-9-11-21(12-10-19)28-18-20-7-3-1-4-8-20/h1,3-4,7-12,22,25H,2,5-6,13-18,24H2/t22-/m0/s1
XMSUGULXHOJTAJ-QFIPXVFZSA-N
381.52