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
COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)
VDIKOHJQRNCQAT-UHFFFAOYSA-N
418.5