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
CCC(c1cnn(C(C)C)c1)c1c(C#N)c(-c2cnc(C(F)(F)F)nc2)c2c(N)ncnn12
InChI=1S/C21H20F3N9/c1-4-14(13-8-30-32(9-13)11(2)3)17-15(5-25)16(18-19(26)29-10-31-33(17)18)12-6-27-20(28-7-12)21(22,23)24/h6-11,14H,4H2,1-3H3,(H2,26,29,31)
DKLOQKUWQNVELB-UHFFFAOYSA-N
455.45