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
NCc1ccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)cc1
InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-10(9-22)2-4-11)24(12-5-6-12)20-17(18(14)25)19(26)23-27-20/h1-4,7-8,12H,5-6,9,22H2,(H,23,26)
JRMYGOQEFDLQJN-UHFFFAOYSA-N
381.43