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
COC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)C(c2ccc(C(=O)O)cc2)C1
InChI=1S/C26H30N2O3/c1-16-13-22(17-3-4-17)23(21-9-11-27-25(16)21)15-28-12-10-20(31-2)14-24(28)18-5-7-19(8-6-18)26(29)30/h5-9,11,13,17,20,24,27H,3-4,10,12,14-15H2,1-2H3,(H,29,30)
CKPFEBYAYLCXDR-UHFFFAOYSA-N
418.54