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(-c3cccnc3-c3nn[nH]n3)cc2)n1
InChI=1S/C23H28N8/c1-3-5-9-20-25-21(10-6-4-2)31(28-20)16-17-11-13-18(14-12-17)19-8-7-15-24-22(19)23-26-29-30-27-23/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,26,27,29,30)
UGEPTBWBRHNNFZ-UHFFFAOYSA-N
416.53