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
FC(F)(F)c1cccc(N2CCN(C3=Nc4cccnc4Nc4ccc(Cl)cc43)CC2)c1
InChI=1S/C23H19ClF3N5/c24-16-6-7-19-18(14-16)22(30-20-5-2-8-28-21(20)29-19)32-11-9-31(10-12-32)17-4-1-3-15(13-17)23(25,26)27/h1-8,13-14H,9-12H2,(H,28,29)
OHLQKXSLNYKMJS-UHFFFAOYSA-N
457.89