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
c1cc2nc3c4ccc5cc6cc(ccc6nc53)CNCCNCCNCc3ccc5nc6c(ccc7cc8cc(ccc8nc76)CNCCNCCNCc1cc2c4)cc5c3
InChI=1S/C52H50N10/c1-9-45-41-21-33(1)29-55-17-13-53-14-18-56-30-35-3-11-47-43(23-35)27-39-7-8-40-28-44-24-36(4-12-48(44)62-52(40)51(39)61-47)32-58-20-16-54-15-19-57-31-34-2-10-46-42(22-34)26-38-6-5-37(25-41)49(59-45)50(38)60-46/h1-12,21-28,53-58H,13-20,29-32H2
VAUSMGHXWKWHEM-UHFFFAOYSA-N
815.04