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(OCCC(N)=O)c3)c(-c3ccccc3F)c2C1
InChI=1S/C22H23FN4O2/c1-26-13-18-20(14-26)25-27(22(18)17-7-2-3-8-19(17)23)12-15-5-4-6-16(11-15)29-10-9-21(24)28/h2-8,11H,9-10,12-14H2,1H3,(H2,24,28)
ZPLXNEDQXVCEDU-UHFFFAOYSA-N
394.45