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(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C1CC1
InChI=1S/C23H32ClN5O/c24-19-5-6-20-21(7-10-26-22(20)17-19)25-8-1-11-28-13-15-29(16-14-28)12-2-9-27-23(30)18-3-4-18/h5-7,10,17-18H,1-4,8-9,11-16H2,(H,25,26)(H,27,30)
SPLMIOWCRJGDJI-UHFFFAOYSA-N
430.0