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
Cc1cc(C)cc(Nc2ncc(-c3cnn(CCO)c3)c(Nc3ccc4c(c3)CNCC4)n2)c1
InChI=1S/C26H29N7O/c1-17-9-18(2)11-23(10-17)31-26-28-15-24(21-14-29-33(16-21)7-8-34)25(32-26)30-22-4-3-19-5-6-27-13-20(19)12-22/h3-4,9-12,14-16,27,34H,5-8,13H2,1-2H3,(H2,28,30,31,32)
WWFNZSCHGGHKJA-UHFFFAOYSA-N
455.57