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
N=C(N)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(=N)N)cc3)n2)cc1
InChI=1S/C21H19N7O2/c22-18(23)12-4-8-14(9-5-12)26-20(29)16-2-1-3-17(28-16)21(30)27-15-10-6-13(7-11-15)19(24)25/h1-11H,(H3,22,23)(H3,24,25)(H,26,29)(H,27,30)
OFJQDWDOCCNEIS-UHFFFAOYSA-N
401.43