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
NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1
InChI=1S/C19H17N5O2S/c20-27(25,26)17-8-4-7-16(11-17)22-19-21-12-15-9-10-24(18(15)23-19)13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,20,25,26)(H,21,22,23)
AIQDZMUPVYDVLB-UHFFFAOYSA-N
379.45