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
CCCCS(=O)(=O)Nc1ccc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1
InChI=1S/C23H24F3N3O3S2/c1-3-4-13-34(31,32)29-19-11-5-16(6-12-19)14-27-21(30)20-15(2)28-22(33-20)17-7-9-18(10-8-17)23(24,25)26/h5-12,29H,3-4,13-14H2,1-2H3,(H,27,30)
YZOYPBWAVMDFLO-UHFFFAOYSA-N
511.59