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(c4ccc5[nH]ccc5c4)CC3)c2c1
InChI=1S/C25H27N5/c26-17-19-4-6-25-23(15-19)21(18-28-25)3-1-2-10-29-11-13-30(14-12-29)22-5-7-24-20(16-22)8-9-27-24/h4-9,15-16,18,27-28H,1-3,10-14H2
BIHUQIVPVHHXCO-UHFFFAOYSA-N
397.53