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)(C)c1cc(NC(=O)Nc2ccc(-c3cn(CCN4CCOCC4)c4ncnc(N)c34)cc2)no1
InChI=1S/C26H32N8O3/c1-26(2,3)20-14-21(32-37-20)31-25(35)30-18-6-4-17(5-7-18)19-15-34(9-8-33-10-12-36-13-11-33)24-22(19)23(27)28-16-29-24/h4-7,14-16H,8-13H2,1-3H3,(H2,27,28,29)(H2,30,31,32,35)
YYTSKSZCOWLQIB-UHFFFAOYSA-N
504.6