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
CNc1nn(-c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChI=1S/C17H16Cl2N6O4/c1-7(2)9-6-12(22-23-15(9)26)29-13-10(18)4-8(5-11(13)19)25-17(28)21-16(27)14(20-3)24-25/h4-7H,1-3H3,(H,20,24)(H,23,26)(H,21,27,28)
HBIVBWXCXZHNED-UHFFFAOYSA-N
439.26