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
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1
InChI=1S/C17H17N3O3S/c1-11-3-5-13(6-4-11)16(22)19-20-17(24)18-15(21)12-7-9-14(23-2)10-8-12/h3-10H,1-2H3,(H,19,22)(H2,18,20,21,24)
FPKUUVIVQIXEJZ-UHFFFAOYSA-N
343.41