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
CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1ccccc1F
InChI=1S/C21H21FN4O/c1-21(2)18-16(13-26(21)12-15-10-6-7-11-17(15)22)19(25-24-18)23-20(27)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,23,24,25,27)
PXOVGNIUOWCANK-UHFFFAOYSA-N
364.42