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
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1
InChI=1S/C22H18FN7/c1-12(27-21-17(11-24)20(25)29-22(26)30-21)16-9-14-7-8-15(23)10-18(14)28-19(16)13-5-3-2-4-6-13/h2-10,12H,1H3,(H5,25,26,27,29,30)/t12-/m0/s1
UXGYFNJNOZVAPL-LBPRGKRZSA-N
399.43