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
COc1ccc(CN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
InChI=1S/C21H24ClN5O3S/c1-13(2)31(28,29)19-7-5-4-6-16(19)25-20-15(22)12-24-21(27-20)26-17-10-14(11-23)8-9-18(17)30-3/h4-10,12-13H,11,23H2,1-3H3,(H2,24,25,26,27)
RJLMIOROTJPHHU-UHFFFAOYSA-N
461.98