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(C(=O)NCCCCNCCCNC(=O)c2ccc(C)o2)o1
InChI=1S/C19H27N3O4/c1-14-6-8-16(25-14)18(23)21-12-4-3-10-20-11-5-13-22-19(24)17-9-7-15(2)26-17/h6-9,20H,3-5,10-13H2,1-2H3,(H,21,23)(H,22,24)
PUXJBBDNPJFKAM-UHFFFAOYSA-N
361.44