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
CN1Cc2nn(Cc3cccc(OCC(N)=O)c3)c(-c3ccccc3F)c2C1
InChI=1S/C21H21FN4O2/c1-25-11-17-19(12-25)24-26(21(17)16-7-2-3-8-18(16)22)10-14-5-4-6-15(9-14)28-13-20(23)27/h2-9H,10-13H2,1H3,(H2,23,27)
WDGKIVMYFINDQX-UHFFFAOYSA-N
380.42