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
CC(C)NC(=N)c1ccc2oc(Cc3cc4cc(C(=N)NC(C)C)ccc4o3)cc2c1
InChI=1S/C25H28N4O2/c1-14(2)28-24(26)16-5-7-22-18(9-16)11-20(30-22)13-21-12-19-10-17(6-8-23(19)31-21)25(27)29-15(3)4/h5-12,14-15H,13H2,1-4H3,(H2,26,28)(H2,27,29)
GSLLPYKPGOZBNE-UHFFFAOYSA-N
416.53