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
CNCc1n[nH]nc1CN1CCOC(O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1
InChI=1S/C25H26F7N5O2/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)39-23-22(15-3-5-19(26)6-4-15)37(7-8-38-23)13-21-20(12-33-2)34-36-35-21/h3-6,9-11,14,22-23,33H,7-8,12-13H2,1-2H3,(H,34,35,36)/t14-,22+,23?/m1/s1
GSEXKIPDORFXEH-IUFPCKGZSA-N
561.5