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(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc32)CC1
InChI=1S/C25H30FN3O2/c26-21-8-9-23-20(18-21)7-10-25(31)29(23)14-4-13-28-15-11-22(12-16-28)27-24(30)17-19-5-2-1-3-6-19/h1-3,5-6,8-9,18,22H,4,7,10-17H2,(H,27,30)
CCRMFAIAQJFSMP-UHFFFAOYSA-N
423.53