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
CNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
InChI=1S/C18H19N5O3/c1-20-18(24)23-17-14(6-11-9-21-16(19)8-15(11)22-17)10-4-12(25-2)7-13(5-10)26-3/h4-9H,1-3H3,(H2,19,21)(H2,20,22,23,24)
QBBDXJPRXHFUCL-UHFFFAOYSA-N
353.38