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
CCCN1CC2(C1)CN(c1cc3c(Nc4cccc(Cl)c4F)ncnc3cc1OC)C(=O)O2
InChI=1S/C23H23ClFN5O3/c1-3-7-29-10-23(11-29)12-30(22(31)33-23)18-8-14-17(9-19(18)32-2)26-13-27-21(14)28-16-6-4-5-15(24)20(16)25/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,26,27,28)
RFKWVNQTNHCTAP-UHFFFAOYSA-N
471.92