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[C@@H](Nc1ncnc2oc(-c3ccc(OC)cc3)cc12)c1ccccc1
InChI=1S/C22H21N3O2/c1-3-19(15-7-5-4-6-8-15)25-21-18-13-20(27-22(18)24-14-23-21)16-9-11-17(26-2)12-10-16/h4-14,19H,3H2,1-2H3,(H,23,24,25)/t19-/m1/s1
JTPYUJWYCFGJSX-LJQANCHMSA-N
359.43