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
COc1cccc(C(=O)NCCN2CCN(c3ccc(C#N)cc3)CC2)c1
InChI=1S/C21H24N4O2/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)19-7-5-17(16-22)6-8-19/h2-8,15H,9-14H2,1H3,(H,23,26)
GUOQVYSYBNSMPJ-UHFFFAOYSA-N
364.45