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
CNC(=O)c1nnc(Nc2cnccn2)cc1Nc1cccc(-c2ncccn2)c1OC
InChI=1S/C21H19N9O2/c1-22-21(31)18-15(11-16(29-30-18)28-17-12-23-9-10-24-17)27-14-6-3-5-13(19(14)32-2)20-25-7-4-8-26-20/h3-12H,1-2H3,(H,22,31)(H2,24,27,28,29)
WEGCMIRUASPCPF-UHFFFAOYSA-N
429.44