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
Cc1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)cc1C(=O)NCCN1CCOCC1
InChI=1S/C27H29N5O2/c1-20-6-8-24(17-25(20)27(33)28-10-11-31-12-14-34-15-13-31)26-19-32(30-29-26)18-21-7-9-22-4-2-3-5-23(22)16-21/h2-9,16-17,19H,10-15,18H2,1H3,(H,28,33)
LJJFRDYJWSRAOQ-UHFFFAOYSA-N
455.56