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
Cc1nn(CC(F)(F)F)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)O
InChI=1S/C21H17F3N6O2/c1-12-18(20(31)32)17(30(27-12)11-21(22,23)24)10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)19-25-28-29-26-19/h2-9H,10-11H2,1H3,(H,31,32)(H,25,26,28,29)
VVBSIPJTMWPGIV-UHFFFAOYSA-N
442.4