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
N#Cc1ccc(COc2ccc(C#Cc3ccc(C(F)(F)C(O)(Cn4cnnn4)c4ccc(F)cc4F)nc3)cc2)c(F)c1
InChI=1S/C31H19F5N6O2/c32-24-8-11-26(28(34)14-24)30(43,18-42-19-39-40-41-42)31(35,36)29-12-6-21(16-38-29)2-1-20-4-9-25(10-5-20)44-17-23-7-3-22(15-37)13-27(23)33/h3-14,16,19,43H,17-18H2
CSZRZUSTHKBQEX-UHFFFAOYSA-N
602.52