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
O=C(NO)c1ccc(Cn2nnc(-c3cccc(S(F)(F)(F)(F)F)c3)n2)cc1
InChI=1S/C15H12F5N5O2S/c16-28(17,18,19,20)13-3-1-2-12(8-13)14-21-24-25(22-14)9-10-4-6-11(7-5-10)15(26)23-27/h1-8,27H,9H2,(H,23,26)
RGPRABLXRYJELS-UHFFFAOYSA-N
421.35