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
COC(=O)c1ccc(NCc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
InChI=1S/C19H20N4O4/c1-25-15-8-13-14(9-16(15)26-2)22-17(23-18(13)20)10-21-12-6-4-11(5-7-12)19(24)27-3/h4-9,21H,10H2,1-3H3,(H2,20,22,23)
WUPQGXNECGOOHF-UHFFFAOYSA-N
368.39