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
N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChI=1S/C26H30N4O/c27-18-20-6-8-25-24(16-20)22(19-28-25)4-1-2-10-29-11-13-30(14-12-29)23-7-9-26-21(17-23)5-3-15-31-26/h6-9,16-17,19,28H,1-5,10-15H2
HVDRFZFBSWKCCX-UHFFFAOYSA-N
414.55