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
CCCCc1nc(CCCC)n(Cc2ccc(-c3ccncc3-c3nn[nH]n3)cc2)n1
InChI=1S/C23H28N8/c1-3-5-7-21-25-22(8-6-4-2)31(28-21)16-17-9-11-18(12-10-17)19-13-14-24-15-20(19)23-26-29-30-27-23/h9-15H,3-8,16H2,1-2H3,(H,26,27,29,30)
WYLPQXJUVNJGAJ-UHFFFAOYSA-N
416.53