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(O)c1ccccc1-c1ccc(Cn2c(C3CC3)nc3c(C(=O)O)ccnc32)cc1
InChI=1S/C24H19N3O4/c28-23(29)18-4-2-1-3-17(18)15-7-5-14(6-8-15)13-27-21(16-9-10-16)26-20-19(24(30)31)11-12-25-22(20)27/h1-8,11-12,16H,9-10,13H2,(H,28,29)(H,30,31)
PSJHZGDAMLMKFJ-UHFFFAOYSA-N
413.43