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)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C2CCOCC2)n1
InChI=1S/C23H33N7O2/c1-14(2)19-10-17(11-20(28-19)15-5-8-32-9-6-15)27-22-18(21(25)31)12-26-23(29-22)30-7-3-4-16(24)13-30/h10-12,14-16H,3-9,13,24H2,1-2H3,(H2,25,31)(H,26,27,28,29)/t16-/m0/s1
GLWCLXOXGCKJNK-INIZCTEOSA-N
439.56