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
COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1
InChI=1S/C27H34FN5O2/c1-19-7-5-8-21-25(19)30-18-22(27(34)31(2)3)26(21)29-11-6-12-32-13-15-33(16-14-32)23-10-9-20(28)17-24(23)35-4/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,29,30)
YLYLJPNJSUBEEA-UHFFFAOYSA-N
479.6