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
COc1ccc(F)cc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
InChI=1S/C24H27FN2O3/c1-29-23-8-6-18(25)13-21(23)20-12-17(20)15-26-10-2-3-11-30-19-7-4-16-5-9-24(28)27-22(16)14-19/h4-9,13-14,17,20,26H,2-3,10-12,15H2,1H3,(H,27,28)
KXRNXSYVAAEIGF-UHFFFAOYSA-N
410.49