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
COC(=O)c1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1
InChI=1S/C20H25N3O5/c1-27-19(25)17-9-5-6-10-18(17)28-14-16(24)13-21-11-12-22-20(26)23-15-7-3-2-4-8-15/h2-10,16,21,24H,11-14H2,1H3,(H2,22,23,26)
AARBZZHMRHZBKX-UHFFFAOYSA-N
387.44