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
O=C(Nc1cccc(Cl)c1)NC1NC=C(CCNc2ncnc3sccc23)S1
InChI=1S/C18H17ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-15-14-5-7-27-16(14)23-10-22-15/h1-3,5,7-10,18,21H,4,6H2,(H,20,22,23)(H2,24,25,26)
XQNMCONHYXAHKS-UHFFFAOYSA-N
432.96