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
OC1Cc2c(Cl)cccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1
InChI=1S/C22H23ClN4O2/c23-18-4-3-5-19-17(18)12-15(28)13-20-25-26-22(27(19)20)14-7-9-16(10-8-14)29-21-6-1-2-11-24-21/h1-6,11,14-16,28H,7-10,12-13H2/t14-,15?,16-
ZGKVRNBKCWSYNC-CMTYHBQSSA-N
410.91