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
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(CC#N)c4ncnc(N)c34)cc2)no1
InChI=1S/C22H22N8O2/c1-22(2,3)16-10-17(29-32-16)28-21(31)27-14-6-4-13(5-7-14)15-11-30(9-8-23)20-18(15)19(24)25-12-26-20/h4-7,10-12H,9H2,1-3H3,(H2,24,25,26)(H2,27,28,29,31)
AMIXSBFSWJBUFS-UHFFFAOYSA-N
430.47