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
CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1
InChI=1S/C26H28ClFN6O2/c1-3-34(4-2)11-10-29-26(35)22-13-18-15-30-33-25(24(18)32-22)31-20-8-9-23(21(27)14-20)36-16-17-6-5-7-19(28)12-17/h5-9,12-15,32H,3-4,10-11,16H2,1-2H3,(H,29,35)(H,31,33)
QDGJXOSRDOUWFQ-UHFFFAOYSA-N
511.0