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
Cc1cc(Cn2ncn(-c3ccc(Cl)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
InChI=1S/C21H22ClN3O4/c1-13-9-15(10-14(2)18(13)29-21(3,4)19(26)27)11-25-20(28)24(12-23-25)17-7-5-16(22)6-8-17/h5-10,12H,11H2,1-4H3,(H,26,27)
YXMAYPGGKODTGP-UHFFFAOYSA-N
415.88