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
CCCCNC(=O)NCCNCC(O)COc1ccc(-c2nc(C)c[nH]2)cc1
InChI=1S/C20H31N5O3/c1-3-4-9-22-20(27)23-11-10-21-13-17(26)14-28-18-7-5-16(6-8-18)19-24-12-15(2)25-19/h5-8,12,17,21,26H,3-4,9-11,13-14H2,1-2H3,(H,24,25)(H2,22,23,27)
LTSPETXJLSXLKS-UHFFFAOYSA-N
389.5