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
CCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
InChI=1S/C24H33N3O3/c1-2-29-22-12-10-21(11-13-22)26-24(28)25-14-7-17-30-23-9-6-8-20(18-23)19-27-15-4-3-5-16-27/h6,8-13,18H,2-5,7,14-17,19H2,1H3,(H2,25,26,28)
VGMNPCYWENQXQM-UHFFFAOYSA-N
411.55