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)Cn1c(C(=O)NCCCNC(=O)n2ccc(=O)[nH]c2=O)cc2cc(F)ccc21
InChI=1S/C21H24FN5O4/c1-13(2)12-27-16-5-4-15(22)10-14(16)11-17(27)19(29)23-7-3-8-24-20(30)26-9-6-18(28)25-21(26)31/h4-6,9-11,13H,3,7-8,12H2,1-2H3,(H,23,29)(H,24,30)(H,25,28,31)
OOVRBUAVVTWZIX-UHFFFAOYSA-N
429.45