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
O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cncn1
InChI=1S/C22H20F2N8O3/c23-22(24,18-7-3-4-9-32(18)35)13-28-20-21(34)30(10-8-26-20)12-19(33)27-11-16-5-1-2-6-17(16)31-15-25-14-29-31/h1-10,14-15H,11-13H2,(H,26,28)(H,27,33)
ZVYXNXBCWFJVEN-UHFFFAOYSA-N
482.45