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
COc1ccc(CCn2cc(C(=O)NCCc3ccc(O)cc3)nn2)cc1Br
InChI=1S/C20H21BrN4O3/c1-28-19-7-4-15(12-17(19)21)9-11-25-13-18(23-24-25)20(27)22-10-8-14-2-5-16(26)6-3-14/h2-7,12-13,26H,8-11H2,1H3,(H,22,27)
HVWCHHKVDQWDLK-UHFFFAOYSA-N
445.32