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
CCC(=O)Nc1ccc(CNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1
InChI=1S/C24H28N6O2/c1-2-24(31)29-20-5-3-18(4-6-20)16-25-22-15-23(27-17-26-22)28-19-7-9-21(10-8-19)30-11-13-32-14-12-30/h3-10,15,17H,2,11-14,16H2,1H3,(H,29,31)(H2,25,26,27,28)
YQCGBJZBXXIKFL-UHFFFAOYSA-N
432.53