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
FC(F)(F)c1ccc(N2CCN(C(=S)N/N=C\c3ccc4ccccc4n3)CC2)nc1
InChI=1S/C21H19F3N6S/c22-21(23,24)16-6-8-19(25-13-16)29-9-11-30(12-10-29)20(31)28-26-14-17-7-5-15-3-1-2-4-18(15)27-17/h1-8,13-14H,9-12H2,(H,28,31)/b26-14-
DAMPIYCHXYCKMV-WGARJPEWSA-N
444.49