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
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Br)cc1
InChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
BGAYCLAHBRWHEL-UHFFFAOYSA-N
429.32