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#Cc1ccc(Cn2cncc2CN(CCCN)[C@H]2CCN(Cc3ccccc3)C2=O)cc1
InChI=1S/C26H30N6O/c27-12-4-13-30(25-11-14-31(26(25)33)17-22-5-2-1-3-6-22)19-24-16-29-20-32(24)18-23-9-7-21(15-28)8-10-23/h1-3,5-10,16,20,25H,4,11-14,17-19,27H2/t25-/m0/s1
NJRTXLQMEKTXLZ-VWLOTQADSA-N
442.57