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
Cc1c[nH]c(CNC(=O)c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)n1
InChI=1S/C26H24N6O/c1-15-12-27-23(30-15)14-28-26(33)17-8-6-16(7-9-17)25-19-5-3-2-4-18(19)24-20-13-29-32-21(20)10-11-22(24)31-25/h6-13H,2-5,14H2,1H3,(H,27,30)(H,28,33)(H,29,32)
DSWGFGIRFVKDCY-UHFFFAOYSA-N
436.52