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
CCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26)
UFSBHRLNFDWGAE-UHFFFAOYSA-N
354.5