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
CCCc1nc(C(F)(F)C(F)(F)C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C24H21F7N6O/c1-2-5-19-32-20(22(25,26)23(27,28)24(29,30)31)18(13-38)37(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-33-35-36-34-21/h3-4,6-11,38H,2,5,12-13H2,1H3,(H,33,34,35,36)
YEGPUMZMQWTWRT-UHFFFAOYSA-N
542.46