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(OC)c(CCn2cnc3sc4c(c3c2=O)CCN(C(=O)C(C)C)C4)c1
InChI=1S/C23H27N3O4S/c1-14(2)22(27)25-10-8-17-19(12-25)31-21-20(17)23(28)26(13-24-21)9-7-15-11-16(29-3)5-6-18(15)30-4/h5-6,11,13-14H,7-10,12H2,1-4H3
LSDMZBDLXHEDCE-UHFFFAOYSA-N
441.55