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
CN(Cc1nc2cccc(CNCCN)c2[nH]1)C1CCCc2cccnc21
InChI=1S/C21H28N6/c1-27(18-9-3-5-15-7-4-11-24-21(15)18)14-19-25-17-8-2-6-16(20(17)26-19)13-23-12-10-22/h2,4,6-8,11,18,23H,3,5,9-10,12-14,22H2,1H3,(H,25,26)
KZTWYBMMGBUMJF-UHFFFAOYSA-N
364.5