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
c1ccc(CCN(Cc2ccc(CNCc3ccccn3)cc2)C2CCCc3cccnc32)nc1
InChI=1S/C30H33N5/c1-3-17-32-27(9-1)16-20-35(29-11-5-7-26-8-6-19-34-30(26)29)23-25-14-12-24(13-15-25)21-31-22-28-10-2-4-18-33-28/h1-4,6,8-10,12-15,17-19,29,31H,5,7,11,16,20-23H2
MXYQOQASCBNUDZ-UHFFFAOYSA-N
463.63