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
COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)cc1
InChI=1S/C28H29N3O3/c1-19-24(23-11-7-8-12-25(23)29-19)18-27(32)30-26(17-20-9-5-4-6-10-20)28(33)31(2)21-13-15-22(34-3)16-14-21/h4-16,26,29H,17-18H2,1-3H3,(H,30,32)/t26-/m0/s1
POQLXWCVLHRHTL-SANMLTNESA-N
455.56