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([C@H]2c3ccccc3CCN2C2=NC[C@@H]([C@H]3CCNC3)O2)cc1
InChI=1S/C22H24FN3O/c23-18-7-5-16(6-8-18)21-19-4-2-1-3-15(19)10-12-26(21)22-25-14-20(27-22)17-9-11-24-13-17/h1-8,17,20-21,24H,9-14H2/t17-,20-,21-/m0/s1
ZNHLSEAWMMUMJY-YYWHXJBOSA-N
365.45