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(c1cnn(-c2ccccc2F)c1)c1c(C#N)c(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnn12
InChI=1S/C23H15F4N9/c1-12(14-9-33-35(10-14)17-5-3-2-4-16(17)24)19-15(6-28)18(20-21(29)32-11-34-36(19)20)13-7-30-22(31-8-13)23(25,26)27/h2-5,7-12H,1H3,(H2,29,32,34)
PNTARCKNMJBTLK-UHFFFAOYSA-N
493.43