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
Cc1cccc(NC(=O)N(C)c2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1
InChI=1S/C22H21N5OS/c1-13-5-4-6-16(11-13)26-22(28)27(3)17-9-7-15(8-10-17)18-14(2)29-21-19(18)20(23)24-12-25-21/h4-12H,1-3H3,(H,26,28)(H2,23,24,25)
ZWLGJBWBMJLKSB-UHFFFAOYSA-N
403.51