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
Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChI=1S/C21H19FN6/c22-15-9-5-13(6-10-15)12-23-21-24-17-4-2-1-3-16(17)20(26-21)25-19-11-18(27-28-19)14-7-8-14/h1-6,9-11,14H,7-8,12H2,(H3,23,24,25,26,27,28)
RAOOCPZTQGMXMH-UHFFFAOYSA-N
374.42