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
CN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChI=1S/C23H18F4N6OS/c1-33(2)19-10-18(28-12-29-19)30-14-8-6-13(7-9-14)21(34)32-22-31-17(11-35-22)15-4-3-5-16(20(15)24)23(25,26)27/h3-12H,1-2H3,(H,28,29,30)(H,31,32,34)
IUAKFNKCUQYXHJ-UHFFFAOYSA-N
502.5