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
Cc1[nH]c2c(C(N)=O)cc(F)c(N3CCC[C@H](NC(=O)C#CC4CC4)C3)c2c1C
InChI=1S/C22H25FN4O2/c1-12-13(2)25-20-16(22(24)29)10-17(23)21(19(12)20)27-9-3-4-15(11-27)26-18(28)8-7-14-5-6-14/h10,14-15,25H,3-6,9,11H2,1-2H3,(H2,24,29)(H,26,28)/t15-/m0/s1
QCOXOOMTCKOCCS-HNNXBMFYSA-N
396.47