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(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1
InChI=1S/C23H21ClF2N4O2/c1-2-23(25,26)16-7-5-6-14(10-16)19-12-20(28-22(32)15-11-21(31)27-13-15)29-30(19)18-9-4-3-8-17(18)24/h3-10,12,15H,2,11,13H2,1H3,(H,27,31)(H,28,29,32)/t15-/m1/s1
BGXDOOMGTOJARF-OAHLLOKOSA-N
458.9