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
C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChI=1S/C26H27F3N4O/c1-19-16-32(17-21-3-2-12-30-15-21)13-14-33(19)18-20-4-6-22(7-5-20)25(34)31-24-10-8-23(9-11-24)26(27,28)29/h2-12,15,19H,13-14,16-18H2,1H3,(H,31,34)/t19-/m0/s1
XVUZWQZVGNYBAU-IBGZPJMESA-N
468.52