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(Nc1ccccc1)c1csc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12
InChI=1S/C28H22N2O2S/c31-25-16-21(15-20-9-6-8-18-7-4-5-12-23(18)20)26(19-13-14-19)28-30(25)24(17-33-28)27(32)29-22-10-2-1-3-11-22/h1-12,16-17,19H,13-15H2,(H,29,32)
TYPJPKPPPMYZMM-UHFFFAOYSA-N
450.56