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
Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCOC(=O)c2ccccc2)n1
InChI=1S/C20H19ClN4O2/c21-15-9-4-8-14(12-15)17-16(24-20(23)25-18(17)22)10-5-11-27-19(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H4,22,23,24,25)
TYRQFXXHSFDACD-UHFFFAOYSA-N
382.85