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=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NCC4CC(F)(F)C4)c3n2)CC1
InChI=1S/C20H24F2N6O2/c1-2-16(29)28-5-3-13(4-6-28)26-15-11-24-18-17(27-15)14(10-23-18)19(30)25-9-12-7-20(21,22)8-12/h2,10-13H,1,3-9H2,(H,23,24)(H,25,30)(H,26,27)
BDINRWLSSVFBCJ-UHFFFAOYSA-N
418.45