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
CCn1ncc2c3c(NCc4ccc(OC)c(Cl)c4)nnc(N4CCC(O)CC4)c3cnc21
InChI=1S/C23H26ClN7O2/c1-3-31-22-17(13-27-31)20-16(12-26-22)23(30-8-6-15(32)7-9-30)29-28-21(20)25-11-14-4-5-19(33-2)18(24)10-14/h4-5,10,12-13,15,32H,3,6-9,11H2,1-2H3,(H,25,28)
LVADNLBOQANUDA-UHFFFAOYSA-N
467.96