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
CN(Cc1nc2cccc(CN3CCNCC3)c2[nH]1)C1CCCc2cccnc21
InChI=1S/C23H30N6/c1-28(20-9-3-5-17-7-4-10-25-23(17)20)16-21-26-19-8-2-6-18(22(19)27-21)15-29-13-11-24-12-14-29/h2,4,6-8,10,20,24H,3,5,9,11-16H2,1H3,(H,26,27)
HOTFDACOUFWRFX-UHFFFAOYSA-N
390.54