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#CC(C#N)=Cc1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1
InChI=1S/C22H18N6O/c23-11-14(12-24)10-16-6-7-19(29-16)22-27-18-13-26-21-17(8-9-25-21)20(18)28(22)15-4-2-1-3-5-15/h6-10,13,15H,1-5H2,(H,25,26)
GBYCPXROHVGSKM-UHFFFAOYSA-N
382.43