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
COc1cc(-c2cc3c(O[C@H]4CCN(C(=O)C5CCC5)C4)ncnc3s2)cnc1OC
InChI=1S/C22H24N4O4S/c1-28-17-8-14(10-23-20(17)29-2)18-9-16-19(24-12-25-21(16)31-18)30-15-6-7-26(11-15)22(27)13-4-3-5-13/h8-10,12-13,15H,3-7,11H2,1-2H3/t15-/m0/s1
ZMPWFDUDUNZATG-HNNXBMFYSA-N
440.53