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
Cc1c(C(=O)NCCN2CCOCC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
InChI=1S/C27H28ClFN6O3/c1-17-24-22(33-25(17)27(36)30-7-8-35-9-11-37-12-10-35)15-31-34-26(24)32-20-5-6-23(21(28)14-20)38-16-18-3-2-4-19(29)13-18/h2-6,13-15,33H,7-12,16H2,1H3,(H,30,36)(H,32,34)
CDDJNPZYBJNIRP-UHFFFAOYSA-N
539.01