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
CC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1ccccc1
InChI=1S/C19H21N5O/c1-19(2,3)24-18(25)23-17-14(12-7-5-4-6-8-12)9-13-11-21-16(20)10-15(13)22-17/h4-11H,1-3H3,(H2,20,21)(H2,22,23,24,25)
KRTWNZSIDWGFLP-UHFFFAOYSA-N
335.41