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
Cc1ccc2oc(=O)c(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1
InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)
JURGVCBNDJKKBG-UHFFFAOYSA-N
483.61