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
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
InChI=1S/C20H16FN5OS/c1-11-16(17-18(22)23-10-24-19(17)28-11)12-2-6-14(7-3-12)25-20(27)26-15-8-4-13(21)5-9-15/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
WGRSUBGGVRCDHQ-UHFFFAOYSA-N
393.45