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
CCc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChI=1S/C24H24ClN5O2/c1-4-15-5-11-20(19(13-15)24(32)29-21-12-10-18(25)14-27-21)28-23(31)17-8-6-16(7-9-17)22(26)30(2)3/h5-14,26H,4H2,1-3H3,(H,28,31)(H,27,29,32)
OKHFEZCWSGLUKP-UHFFFAOYSA-N
449.94