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)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1C(F)(F)F)C(=O)O
InChI=1S/C21H17F6N3O4/c1-19(2,17(31)32)34-16-8-3-12(9-15(16)21(25,26)27)10-30-18(33)29(11-28-30)14-6-4-13(5-7-14)20(22,23)24/h3-9,11H,10H2,1-2H3,(H,31,32)
UDURFPMCOBALGE-UHFFFAOYSA-N
489.37